2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

• ChemBase ID: 130138
• Molecular Formular: C17H25NO
• Molecular Mass: 259.3865
• Monoisotopic Mass: 259.19361443
• SMILES: OC1CCCCC1N1CCC(CC1)c1ccccc1
• Canonical SMILES: OC1CCCCC1N1CCC(CC1)c1ccccc1
• InChI: InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2
• InChIKey: YSSBJODGIYRAMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
• IUPAC Traditional name: vesamicol
• Synonyms: Vesamicol

Database IDs

• CAS Number: 22232-64-0
• PubChem SID: 162224422
• PubChem CID: 5662
• CHEMBL: 20730
• Chemspider ID: 5460
• Wikipedia Title: Vesamicol

CALCULATED PROPERTIES

• Acid pKa: 14.596863
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2674812
• LogD (pH = 7.4): 0.69691294
• Log P: 3.1857257
• Molar Refractivity: 79.1494 cm^3
• Polarizability: 31.223616 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true