4-phenylpiperidin-4-ol

• ChemBase ID: 89075
• Molecular Formular: C11H15NO
• Molecular Mass: 177.2429
• Monoisotopic Mass: 177.11536411
• SMILES: OC1(c2ccccc2)CCNCC1
• Canonical SMILES: OC1(CCNCC1)c1ccccc1
• InChI: InChI=1S/C11H15NO/c13-11(6-8-12-9-7-11)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
• InChIKey: KQKFQBTWXOGINC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenylpiperidin-4-ol
• IUPAC Traditional name: 4-phenylpiperidin-4-ol
• Synonyms: 4-Phenylpiperidin-4-ol; 4-Hydroxy-4-phenylpiperidine; 4-Phenyl-4-piperidinol; 4-Phenyl-4-piperidinol; 4-Hydroxy-4-phenylpiperidine; 4-苯基-4-羟基哌啶; 4-苯基-4-羟基哌啶; 4-羟基-4-苯基哌啶

Database IDs

• CAS Number: 40807-61-2
• EC Number: 255-089-0
• MDL Number: MFCD00006000
• Beilstein Number: 141577
• PubChem SID: 162075961; 24895678; 24879964
• PubChem CID: 96387

CALCULATED PROPERTIES

• Acid pKa: 14.000117
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.381969
• LogD (pH = 7.4): -1.2046516
• Log P: 0.77342296
• Molar Refractivity: 52.9199 cm^3
• Polarizability: 20.96048 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 157-161 °C; 157-161 °C(lit.); 157-161°C

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (HPLC); 99%
• Grade: purum
• Empirical Formula (Hill Notation): C11H15NO

DETAILS

Sigma Aldrich - H52201

Packaging
1, 5 g in glass bottle
Application
Reactant for synthesis of:
• Diaminotriazine hNav1.7 inhibitors1
• Selective σ-ligands2
• Glycogen synthase kinase-3β-inhibitors3
• Diphenylbutylpiperidines as cell autophagy inducers4
• Malonyl-coA decarboxylase inhibitors with antiobesity and antidiabetic activities5
• Selective dopamine D2 receptor antagonists6

Sigma Aldrich - 56170

Application
Reactant for synthesis of:
• Diaminotriazine hNav1.7 inhibitors1
• Selective σ-ligands2
• Glycogen synthase kinase-3β-inhibitors3
• Diphenylbutylpiperidines as cell autophagy inducers4
• Malonyl-coA decarboxylase inhibitors with antiobesity and antidiabetic activities5
• Selective dopamine D2 receptor antagonists6