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4-Methylpiperidin-4-OL

LipophilicityLogPLogD

Designing CNS candidates or selective receptor antagonists requires precise lipophilicity and solubility control. 4-Methylpiperidin-4-OL delivers quantifiable advantages over generic piperidines.

  • LogP -0.1, LogD(pH 7.4) -2.86: Optimal for blood-brain barrier penetration with minimal non-specific binding.
  • Aqueous solubility 693 g/L: Enables injectable/high-load oral formulations; solid state simplifies handling.
  • Weak CYP3A4 inhibitor (IC50 5400 nM): Reduces drug-drug interaction risk, saving downstream screening costs. Buy 4-Methylpiperidin-4-ol Cas 3970‑68‑1

4-Methylpiperidin-4-ol

4-Methylpiperidin-4-ol Structure

4-Methylpiperidin-4-ol structureCAS No.3970-68-1Chemical Name:4-Methylpiperidin-4-olSynonyms4-Hydroxy-4-methylpiperidine;4-pipecolin-4-ol;4-Methylpiperidin-4-ol;4-Methyl-4-piperidinol;4-Piperidinol, 4-Methyl-;4-METHYLPIPERIDIN-4-OL hcl;4-Hydroxy-4-methylpiperid…;4-Methyl-4-hydroxypiperidine;4-Methylpiperidin-4-ol4-methylpiperidin-4-olCBNumber:CB32455885Molecular Formula:C6H13NOMolecular Weight:115.17MDL Number:MFCD11100993MOL File:3970-68-1.molMSDS File:SDSTDS File:TDS

Last updated:2026-09-12 18:51:52

Product descriptionNumberPack SizePrice
4-Methylpiperidin-4-ol min. 95.0 %M36581G$69
4-Methylpiperidin-4-ol min. 95.0 %M36585G$208
4-Methylpiperidin-4-ol Asreported284500250mg$425
4-Methylpiperidin-4-ol Asreported284500500mg$602
4-Methylpiperidin-4-ol Asreported2845001g$1184
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4-Methylpiperidin-4-ol Properties

Boiling point184.4±15.0 °C(Predicted)
Density0.976±0.06 g/cm3(Predicted)
storage temp.Keep in dark place,Inert atmosphere,Room temperature
pka15.01±0.20(Predicted)
formpowder
colorLight Yellow

SAFETY

Risk and Safety Statements

Symbol(GHS)Corrosion (GHS05)
GHS05
Signal wordDanger
Hazard statementsH314
Precautionary statementsP260-P280-P301+P330+P331
HS Code2933399990

4-Methylpiperidin-4-ol price More Price(40)

ManufacturerProduct numberProduct descriptionCAS numberPackagingPriceUpdatedBuy
TCI ChemicalM36584-Methylpiperidin-4-ol min. 95.0 %3970-68-11G$692026-04-30Buy
TCI ChemicalM36584-Methylpiperidin-4-ol min. 95.0 %3970-68-15G$2082026-04-30Buy
Usbiological2845004-Methylpiperidin-4-ol Asreported3970-68-1250mg$4252026-06-03Buy
Usbiological2845004-Methylpiperidin-4-ol Asreported3970-68-1500mg$6022026-06-03Buy
Usbiological2845004-Methylpiperidin-4-ol Asreported3970-68-11g$11842026-06-03Buy

4-Methylpiperidin-4-ol Chemical Properties, Uses, Production

Synthesis Reference(s)

Journal of the American Chemical Society, 115, p. 7250, 1993 DOI: 10.1021/ja00069a025

Synthesis

4-Hydroxy-4-methylpiperidine-1-carboxylic acid benzyl ester

169750-57-6

4-METHYLPIPERIDIN-4-OL

3970-68-1

General procedure for the synthesis of 4-methyl-4-hydroxypiperidine from benzyl 4-methylpiperidine-1-carboxylate: the Cbz-protected piperidine derivative mt 3-1 (1.5 g, 6.02 mmol) and Pd/C catalyst (0.3 g) were suspended in methanol (30 mL). The mixture was degassed under reduced pressure and displaced three times with hydrogen. Subsequently, the reaction mixture was stirred overnight at room temperature under hydrogen atmosphere (50 psi). Upon completion of the reaction, the mixture was filtered through a diatomaceous earth pad and the filtrate was concentrated under reduced pressure to afford the target compound mt 3-2 (500 mg, 72% yield), which was used in subsequent steps without further purification. Mass spectrometric analysis (MS-ES) showed m/z: 116.3 ([M + H]+).

References

[1] Patent: WO2014/197345, 2014, A2. Location in patent: Page/Page column 58; 59
[2] Patent: EP1522540, 2005, A1. Location in patent: Page/Page column 53
[3] Patent: WO2014/194519, 2014, A1. Location in patent: Page/Page column 52

4-Methylpiperidin-4-ol Preparation Products And Raw materials

Raw materials

4-Hydroxy-4-methylpiperidine-1-carboxylic acid benzyl esterN-Boc-4-methyl-4-hydroxy piperidinePalladiumHydrogenActivated carbon

Methanol

Preparation Products

4-Piperidinol, 4-methyl-, hydrochloride (1:1)

4-Methylpiperidin-4-ol Suppliers

Global Suppliers ( 107)China        94India        3United Kingdom        1United States        9Global        107

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Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763[email protected]China3452458
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HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329[email protected]China4330358
Henan Fengda Chemical Co., Ltd+86-371-86557731 +86-13613820652[email protected]China2011158

View Latest Price from 4-Methylpiperidin-4-ol manufacturers

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4-METHYLPIPERIDIN-4-OL pictures2019-07-064-METHYLPIPERIDIN-4-OL3970-68-1$1.001KG98%1tonCareer Henan Chemical Co 

4-Methylpiperidin-4-ol Spectrum

4-METHYLPIPERIDIN-4-OL(3970-68-1)1HNMR

3970-68-1 (4-Methylpiperidin-4-ol) Related Search:

1-Benzyl-4-cyano-4-hydroxypiperidine4-[3-(Trifluoromethyl)phenyl]-4-piperidinol hydrochloride4-Benzyl-4-hydroxypiperidine4-(4-Chlorophenyl)piperidin-4-olHaloperidol

4-[4-Chloro-3-(trifluoromethyl)phenyl]-4-piperidinol4-(4-Bromophenyl)-4-piperidinol4-Hydroxy-4-phenylpiperidineCevadine4-(3-Trifuoromethyl)phenyl-4-piperidinol

Loperamide hydrochlorideVERATRIDINEHALOPERIDOL METABOLITE IITRIFLUPERIDOL HCL4-(4-Fluoro-phenyl)-piperidin-4-ol hydrochloride

4-[4-(4-Chlorophenyl)-4hydroxy-1-piperidinyl]-1-(4-chlorophenyl)-1-butanone(+)-Butaclamol hydrochlorideAlphaprodine/anadol hydrochloride

Basic Identity

Product Name4-Methylpiperidin-4-OL
CAS3970-68-1
Molecular FormulaC6H13NO
Molecular Weight115.17 g/mol

Structural Identifiers

SMILESCC1(CCNCC1)O
InChIInChI=1S/C6H13NO/c1-6(8)2-4-7-5-3-6/h7-8H,2-5H2,1H3
InChIKeyCXBLQEIODBBSQD-UHFFFAOYSA-N

Commercial & Availability

Standard Pack Sizes1 g / 5 g / 25 g / 100 g / Bulk Custom
AvailabilityIn Stock
Custom SynthesisAvailable on request

Structure & Identifiers

3D Viewer

Interactive Chemical Structure Model Ball and Stick Sticks Wire-Frame Space-Filling Show Hydrogens Animate+−

4-Methylpiperidin-4-OL: Physicochemical & Structural Profile

4-Methylpiperidin-4-OL (CAS 3970-68-1), also known as 4-hydroxy-4-methylpiperidine, is a six-membered saturated heterocyclic amine with the molecular formula C6H13NO and a molecular weight of 115.17 g/mol [1]. This compound is characterized by the presence of both a hydroxyl group and a methyl group at the 4-position of the piperidine ring, conferring distinct physicochemical properties including a topological polar surface area (TPSA) of 32.3 Ų, a calculated LogP (XLogP3-AA) of -0.1, and a predicted acid pKa of approximately 14.98 [1][2]. It exists as a white crystalline solid with a reported water solubility of 693 g/L at 25 ºC . Its unique substitution pattern differentiates it from simpler piperidine analogs and makes it a valuable intermediate in medicinal chemistry and chemical synthesis.

Scaffold role4-substituted piperidine intermediate for medicinal chemistry synthesis

Lipophilicity balanceModerate LogP supports permeability screening without high non-specific binding

Solid handlingCrystalline solid with defined high water solubility simplifies formulation workflowsvs. liquid analogs

View 2 References︾

Why 4-Methylpiperidin-4-OL Cannot Be Substituted

The selection of 4-Methylpiperidin-4-OL over its close structural analogs—such as piperidine, 4-methylpiperidine, or 4-piperidinol—is not arbitrary; it is dictated by quantifiable differences in lipophilicity, hydrogen bonding capacity, and basicity that directly influence downstream molecular properties like solubility, permeability, and metabolic stability. Generic substitution with an in-class compound risks introducing a >1.5-unit shift in LogP [1], altering the compound’s ionization state at physiological pH by over 3 LogD units [2], or changing the hydrogen bond donor/acceptor profile, which can critically undermine a drug candidate’s pharmacokinetic profile or a chemical intermediate’s reactivity. The following quantitative evidence establishes the precise, verifiable differentiation that justifies the selection of 4-Methylpiperidin-4-OL for specific scientific and industrial applications.

vs. piperidine4-Methylpiperidin-4-OL introduces hydroxyl and methyl groups; the unsubstituted analog shifts LogP by ~0.7 units and alters H-bond donor count, which may significantly change permeability-solubility balance.

vs. 4-methylpiperidineLacking the 4-OH group, the methyl-only analog exhibits a >1.4-unit higher LogP and a lower pKa (~11.2), leading to different ionization at physiological pH and reduced aqueous solubility.

vs. 4-piperidinolWithout the 4-methyl substituent, 4-piperidinol has a slightly lower TPSA and lacks the steric bulk that can influence receptor-subtype selectivity in target synthesis; substitution may compromise designed selectivity profiles.

View 2 References︾

4-Methylpiperidin-4-OL vs. Structural Analogs

Lipophilicity: LogP & LogD Comparison

4-Methylpiperidin-4-OL exhibits an XLogP3-AA value of -0.1, representing a 0.71-unit decrease in lipophilicity compared to piperidine (LogP 0.61) and a >1.4-unit decrease compared to 4-methylpiperidine (LogP ~1.33). Conversely, it is 0.42 units more lipophilic than 4-piperidinol (LogP -0.52) [1]. This intermediate lipophilicity, combined with a LogD (pH 7.4) of -2.86, which is over 3 units lower than its LogP, demonstrates a highly pH-dependent partition coefficient that is distinct from its analogs [2].

4-Methylpiperidin-4-OL

Catalog No.

S734963

CAS No.

3970-68-1

M.F

C6H13NO

M. Wt

115.17 g/mol

Availability

In Stock

* This item is exclusively intended for research purposes and is not designed for human therapeutic applications or veterinary use.

4-Methylpiperidin-4-OL

Content Navigation

General Information

Metabolic instability of piperidine-based drug candidates often leads to high clearance. 4-Methylpiperidin-4-OL solves this by introducing a C4-methyl tertiary alcohol that blocks oxidative metabolism, directs spirocyclization, and prevents side reactions.

  • Enables spirocyclic scaffold construction for CNS & kinase targets.
  • Tertiary alcohol reactivity avoids dehydration, ensuring high-yield synthesis.
  • Improves API metabolic stability for better PK profiles.

Supplied with ≥97% purity, ready for immediate global shipping.

CAS Number 3970-68-1

Product Name 4-Methylpiperidin-4-OL

IUPAC Name 4-methylpiperidin-4-ol

Molecular Formula C6H13NO

Molecular Weight 115.17 g/mol

InChI InChI=1S/C6H13NO/c1-6(8)2-4-7-5-3-6/h7-8H,2-5H2,1H3

InChI Key

CXBLQEIODBBSQD-UHFFFAOYSA-N

SMILES

CC1(CCNCC1)O

Canonical SMILES

CC1(CCNCC1)O

 

The exact mass of the compound 4-Methylpiperidin-4-OL is unknown and the complexity rating of the compound is unknown. The United Nations designated GHS hazard class pictogram is Corrosive, and the GHS signal word is DangerThe storage condition is unknown. Please store according to label instructions upon receipt of goods.

Synonyms

4-Methyl-4-piperidinol, 4-Hydroxy-4-methylpiperidine, 4-Piperidinol, 4-methyl-, 4-Methylpiperidin-4-ol

Purity

≥97%

Package Size

1 g, 5 g, 25 g

4-Methylpiperidin-4-OL: Spirocyclic and Stable Building Block

4-Methylpiperidin-4-OL (CAS: 3970-68-1) is a heterocyclic organic compound widely used as a structural precursor in pharmaceutical and specialty chemical synthesis.[1] It features a piperidine core functionalized with a tertiary alcohol at the C4 position and a methyl group also at C4, providing a key point of differentiation from simpler piperidine analogs. This specific arrangement is instrumental in constructing complex three-dimensional scaffolds, particularly spirocycles, and for introducing steric bulk that can enhance the metabolic stability of the final active pharmaceutical ingredients (APIs).[2][3] Its utility as a stable, solid building block makes it a practical choice in multi-step synthesis campaigns.[4]

Research Fit

1

4-hydroxy-4-methyl substitution provides unique steric and hydrogen-bonding profile for building-block design.

2

Intermediate lipophilicity supports balanced permeability and aqueous solubility in research models.

3

Crystalline solid with reported high water solubility simplifies handling and solution preparation in synthesis workflows.

References

4-Methylpiperidin-4-OL: Non-Interchangeable with Common Piperidinols

Direct substitution of 4-Methylpiperidin-4-OL with analogs like piperidin-4-ol or 1-methylpiperidin-4-ol is often unfeasible in established synthesis routes. The C4-methyl group is not a passive substituent; it creates a tertiary alcohol, which has distinct reactivity compared to the secondary alcohol of piperidin-4-ol, and it provides specific steric hindrance that is critical for directing subsequent reactions and preventing unwanted side reactions like dehydration.[5] Furthermore, this methyl group is often a deliberate design element in medicinal chemistry to block sites of metabolic oxidation, thereby improving a drug candidate’s pharmacokinetic profile.[3][6] Replacing it with a hydrogen (as in piperidin-4-ol) or shifting the methyl to the nitrogen (as in 1-methylpiperidin-4-ol) fundamentally alters the molecule’s three-dimensional shape and reactivity, leading to different products, lower yields, or final compounds with inferior biological properties.

Substitution Risk

vs. piperidine / 4-methylpiperidine

Different lipophilicity and basicity may shift ionization-dependent properties and pharmacokinetic behavior.

vs. 4-piperidinol

Additional methyl group alters steric profile and TPSA; may affect target binding and metabolic stability.

General risk

Substituting analogs changes hydrogen-bond donor/acceptor count, potentially altering solubility-permeability balance.

References

4-Methylpiperidin-4-OL: Performance Differentiators

Spirocyclic Scaffold Precursor for Drug Discovery

The tertiary alcohol and quaternary carbon center of 4-Methylpiperidin-4-OL make it a preferred precursor for constructing spiro-piperidine systems, which are increasingly important for creating drug candidates with improved three-dimensionality and physicochemical properties.[2][7] Synthetic routes to advanced antipsychotics like Fluspirilene and investigational drugs targeting PTHR1 have utilized spirocyclization strategies that rely on piperidone-derived intermediates.[7] For example, the synthesis of the core spirocycle for Spiperone and Fluspirilene involves an initial Strecker reaction on an N-benzyl-4-piperidone, followed by hydrolysis and cyclization to form a spirocyclic imidazolin-4-one.[7] Using 4-Methylpiperidin-4-OL or its corresponding ketone provides a direct route to introduce a methyl group at the spiro-junction, a common strategy for tuning solubility and target engagement.

Evidence DimensionSuitability as a Precursor for Spiro-Piperidine Synthesis
Target Compound DataProvides a quaternary carbon at C4, enabling the formation of spirocycles with a methyl group at the spiro-atom.
Comparator Or BaselinePiperidin-4-ol (unsubstituted analog) yields spirocycles without the C4-methyl group, lacking its specific steric and electronic influence.
Quantified DifferenceQualitative but structurally critical: enables access to a distinct class of C4-methylated spiro-piperidine scaffolds.
ConditionsMulti-step synthesis, typically involving initial conversion to a ketone followed by reactions like Strecker or nitroaldol condensations for spirocycle formation.[7][8]

For projects requiring C4-methylated spiro-piperidine scaffolds to optimize potency or ADME properties, this compound is a necessary, non-interchangeable starting material.Lipophilicity

Reported

Target: XLogP3 -0.1; LogD (pH 7.4) -2.86vs. Piperidine (0.61), 4-Methylpiperidine (~1.33), 4-Piperidinol (-0.52)

Supports intermediate lipophilicity selection for permeability/solubility balance

Computational predictions (XLogP3, ChemAxon)

Metabolic Stability via CYP Oxidation Blockade

The introduction of a methyl group at a metabolically vulnerable position is a validated strategy for improving a drug’s pharmacokinetic profile.[3][9] The C4-methyl group in 4-Methylpiperidin-4-OL serves as a steric shield, blocking potential cytochrome P450 (CYP)-mediated oxidation at that position. In contrast, the unsubstituted piperidin-4-ol presents a C-H bond at the C4 position, which is a potential site for metabolic attack leading to faster clearance. While direct comparative data for this specific precursor is not published, the principle is widely demonstrated in drug development. For example, replacing a phenyl ring with a bicyclohexyl group in an MDM2 inhibitor maintained potency but increased metabolic stability, leading to a 6-fold increase in pharmacokinetic exposure.[6] The C4-methyl group on the piperidine ring functions similarly to block a potential oxidation site.

Evidence DimensionResistance to Metabolic Oxidation at C4
Target Compound DataFeatures a quaternary carbon at C4, which is sterically hindered and lacks a C-H bond, preventing direct CYP-mediated hydroxylation at this site.
Comparator Or BaselinePiperidin-4-ol has a C-H bond at the C4 position, a potential site for metabolic oxidation which can be a primary clearance pathway.
Quantified DifferenceNot directly quantified for this precursor, but the strategy is known to increase metabolic half-life (t1/2) and in vivo exposure (AUC) in final drug compounds.[6][9]
ConditionsIn vivo and in vitro (e.g., liver microsome) metabolic stability assays.[10]

Procuring this compound is a strategic choice to build drug candidates with enhanced metabolic stability, potentially reducing clinical dosage and improving therapeutic index.Ionization state

Reported

Predicted pKa 14.98vs. Piperidine (11.22), 4-Methylpiperidine (11.23), 4-Piperidinol (~15.18)

Higher pKa suggests lower ionization at physiological pH, may affect passive permeability

Computational prediction and literature values

Solid Form Handling Advantages

4-Methylpiperidin-4-OL is a solid with a defined melting point, which offers significant advantages in handling and processability over related liquid or low-melting analogs.[4] For instance, 1-Methylpiperidin-4-ol is often supplied as a liquid or low-melting solid, which can be more difficult to handle, weigh accurately, and charge into reactors, especially at scale. The solid form of 4-Methylpiperidin-4-OL simplifies laboratory and pilot-plant workflows, reducing material loss and improving batch-to-batch consistency.

Evidence DimensionMelting Point (°C)
Target Compound Data46.0 to 50.0 °C[4]
Comparator Or Baseline1-Methylpiperidin-4-ol: ~25-30 °C (often handled as a liquid at room temperature)
Quantified DifferenceHigher melting point ensures a free-flowing solid state under typical laboratory conditions.
ConditionsStandard atmospheric pressure.

Choosing this compound can de-risk scale-up and simplify routine synthesis by providing a material that is easier to handle, store, and dose accurately compared to liquid analogs.H-Bond & TPSA

Reported

2 donors, 2 acceptors, TPSA 32.3 Ųvs. Piperidine/4-Methylpiperidine (1/1, 12.0 Ų), 4-Piperidinol (2/2, 29.5 Ų)

Increased H-bonding may enhance solubility but reduce permeability

Computational TPSA (Cactvs, PubChem)Solubility

Data to verify

693 g/L at 25 °C

Reported high aqueous solubility aids formulation and synthesis

Single data point; source not specifiedCYP3A4 IC₅₀

Reported

5,400 nM (human liver microsomes)

Low inhibition potency suggests reduced DDI risk in screening

Testosterone 6β-hydroxylation assay, 45 min incubation

4-Methylpiperidin-4-OL: Application Scenarios

M3 Muscarinic Antagonist Building Block

The piperidinol scaffold is a well-established core for muscarinic antagonists. Incorporating 4-Methylpiperidin-4-OL allows for the synthesis of analogs where the C4-methyl group can fine-tune receptor selectivity and improve metabolic stability, a key consideration for developing treatments for conditions like urinary incontinence with fewer side effects.[11]

Spiro-Piperidine CNS Agents and Kinase Inhibitors

Leveraging its utility as a spirocyclization precursor, this compound is ideal for building libraries of novel, three-dimensional molecules targeting proteins in the central nervous system or for developing selective kinase inhibitors. The spirocyclic structure enhances scaffold rigidity and novelty, while the methyl group can occupy specific hydrophobic pockets in the target protein, improving potency and selectivity.[2][12]

Analgesics with Enhanced Pharmacokinetics

The 4,4-disubstituted piperidine motif is central to many potent analgesics. Using 4-Methylpiperidin-4-OL as a starting material enables the creation of novel fentanyl analogs or other opioid receptor modulators. The C4-methyl group can sterically hinder metabolic pathways that are responsible for the rapid clearance of existing drugs, potentially leading to compounds with longer duration of action or improved oral bioavailability.[13]

Application Fit Matrix

Application

Selection Property

Validation Focus

CNS drug lead optimization

Balanced lipophilicity and ionization profile

In silico and in vitro BBB permeability modeling

Aqueous formulation development

Reported high aqueous solubility

Dissolution consistency and solution stability

CYP-mediated DDI risk assessment

Low CYP3A4 inhibition potency

In vitro DDI liability screening

Muscarinic receptor modulator synthesis

Stereoelectronic substitution pattern

M2 receptor selectivity profiling

References

Lipophilicity

Reported

LogP -0.1 (XLogP3) vs. Piperidine 0.61, 4-Methylpiperidine ~1.33, 4-Piperidinol -0.52

Intermediate lipophilicity supports balanced permeability screening

LogD (pH 7.4) -2.86 further indicates pH-dependent partitio

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