1-benzyl-4-phenylpiperidin-4-ol

• ChemBase ID: 113672
• Molecular Formular: C18H21NO
• Molecular Mass: 267.36544
• Monoisotopic Mass: 267.1623143
• SMILES: C1(CCN(CC1)Cc1ccccc1)(c1ccccc1)O
• Canonical SMILES: OC1(CCN(CC1)Cc1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H21NO/c20-18(17-9-5-2-6-10-17)11-13-19(14-12-18)15-16-7-3-1-4-8-16/h1-10,20H,11-15H2
• InChIKey: FCLMXEAPEVBCKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-benzyl-4-phenylpiperidin-4-ol
• IUPAC Traditional name: 1-benzyl-4-phenylpiperidin-4-ol
• Synonyms: 1-benzyl-4-phenylpiperidin-4-ol

Database IDs

• CAS Number: 63843-83-4
• MDL Number: MFCD00598510
• PubChem SID: 162098578
• PubChem CID: 97333

CALCULATED PROPERTIES

• Acid pKa: 13.999138
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22065511
• LogD (pH = 7.4): 1.4465361
• Log P: 2.880944
• Molar Refractivity: 82.8272 cm^3
• Polarizability: 32.43701 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 3.768

Product Information

• Purity: 95+%