diphenyl(piperidin-4-yl)methanol hydrochloride

• ChemBase ID: 11590
• Molecular Formular: C18H22ClNO
• Molecular Mass: 303.82638
• Monoisotopic Mass: 303.13899201
• SMILES: C(c1ccccc1)(c1ccccc1)(C1CCNCC1)O.Cl
• Canonical SMILES: OC(c1ccccc1)(c1ccccc1)C1CCNCC1.Cl
• InChI: InChI=1S/C18H21NO.ClH/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17;/h1-10,17,19-20H,11-14H2;1H
• InChIKey: LBRAWKGGVUCSOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl(piperidin-4-yl)methanol hydrochloride
• IUPAC Traditional name: azacyclonol hydrochloride
• Synonyms: Diphenyl-piperidin-4-yl-methanol hydrochloride

Database IDs

• CAS Number: 1798-50-1
• MDL Number: MFCD00039039
• PubChem SID: 160974897
• PubChem CID: 15722

CALCULATED PROPERTIES

• Acid pKa: 13.21939
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.3413978
• LogD (pH = 7.4): 0.33140144
• Log P: 2.8795443
• Molar Refractivity: 82.2217 cm^3
• Polarizability: 32.43273 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false