phenyl(piperidin-4-yl)methanol

• ChemBase ID: 77093
• Molecular Formular: C12H17NO
• Molecular Mass: 191.26948
• Monoisotopic Mass: 191.13101417
• SMILES: N1CCC(CC1)C(c1ccccc1)O
• Canonical SMILES: OC(c1ccccc1)C1CCNCC1
• InChI: InChI=1S/C12H17NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-5,11-14H,6-9H2
• InChIKey: DUZLYYVHAOTWSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl(piperidin-4-yl)methanol
• IUPAC Traditional name: phenyl(piperidin-4-yl)methanol
• Synonyms: phenyl(4-piperidinyl)methanol; Phenylpiperidin-4-ylmethanol; phenyl(piperidin-4-yl)methanol

Database IDs

• CAS Number: 38081-60-6
• MDL Number: MFCD05864581
• PubChem SID: 162041967
• PubChem CID: 339086

CALCULATED PROPERTIES

• Acid pKa: 14.222639
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8510116
• LogD (pH = 7.4): -1.1796622
• Log P: 1.370022
• Molar Refractivity: 57.5185 cm^3
• Polarizability: 22.806688 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 171 - 173°C
• Hydrophobicity(logP): 1.115

Product Information

• Purity: 95%