4-phenyl-4-(piperidin-1-yl)cyclohexan-1-ol

• ChemBase ID: 125454
• Molecular Formular: C17H25NO
• Molecular Mass: 259.3865
• Monoisotopic Mass: 259.19361443
• SMILES: OC1CCC(c2ccccc2)(N2CCCCC2)CC1
• Canonical SMILES: OC1CCC(CC1)(N1CCCCC1)c1ccccc1
• InChI: InChI=1S/C17H25NO/c19-16-9-11-17(12-10-16,15-7-3-1-4-8-15)18-13-5-2-6-14-18/h1,3-4,7-8,16,19H,2,5-6,9-14H2
• InChIKey: KPRUAZBLIREHPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-phenyl-4-(piperidin-1-yl)cyclohexan-1-ol
• IUPAC Traditional name: 4-phenyl-4-(piperidin-1-yl)cyclohexan-1-ol
• Synonyms: 4-Phenyl-4-(1-piperidinyl)cyclohexanol

Database IDs

• CAS Number: 60756-83-4
• PubChem SID: 162219804
• PubChem CID: 162171
• Chemspider ID: 142418
• Wikipedia Title: 4-Phenyl-4-(1-piperidinyl)cyclohexanol

CALCULATED PROPERTIES

• Acid pKa: 15.25434
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.3685564
• LogD (pH = 7.4): 0.44290975
• Log P: 3.1013293
• Molar Refractivity: 79.316 cm^3
• Polarizability: 31.299707 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true