1,1-diphenyl-2-(piperidin-1-yl)propan-1-ol

• ChemBase ID: 127135
• Molecular Formular: C20H25NO
• Molecular Mass: 295.4186
• Monoisotopic Mass: 295.19361443
• SMILES: OC(c1ccccc1)(c1ccccc1)C(N1CCCCC1)C
• Canonical SMILES: CC(C(c1ccccc1)(c1ccccc1)O)N1CCCCC1
• InChI: InChI=1S/C20H25NO/c1-17(21-15-9-4-10-16-21)20(22,18-11-5-2-6-12-18)19-13-7-3-8-14-19/h2-3,5-8,11-14,17,22H,4,9-10,15-16H2,1H3
• InChIKey: ZOCMPVMKPVJTEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-diphenyl-2-(piperidin-1-yl)propan-1-ol
• IUPAC Traditional name: diphepanol
• Synonyms: Diphepanol

Database IDs

• CAS Number: 510-07-6
• PubChem SID: 162221457
• PubChem CID: 94161
• Chemspider ID: 84978
• Wikipedia Title: Diphepanol

CALCULATED PROPERTIES

• Acid pKa: 12.883485
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.6389231
• LogD (pH = 7.4): 1.7869248
• Log P: 4.060771
• Molar Refractivity: 91.8272 cm^3
• Polarizability: 36.125935 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true