4-(4-phenylbenzoyl)piperidine

• ChemBase ID: 812017
• Molecular Formular: C18H19NO
• Molecular Mass: 265.34956
• Monoisotopic Mass: 265.14666423
• SMILES: C(=O)(C1CCNCC1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: O=C(c1ccc(cc1)c1ccccc1)C1CCNCC1
• InChI: InChI=1S/C18H19NO/c20-18(17-10-12-19-13-11-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-9,17,19H,10-13H2
• InChIKey: MEAYERISLPBAKL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-phenylbenzoyl)piperidine
• IUPAC Traditional name: 4-(4-phenylbenzoyl)piperidine
• Synonyms: BIPHENYL-4-YL-PIPERIDIN-4-YL-METHANONE

Database IDs

• CAS Number: 42060-83-3

CALCULATED PROPERTIES

• Acid pKa: 16.590178
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.05963881
• LogD (pH = 7.4): 0.714419
• Log P: 3.2816966
• Molar Refractivity: 82.0286 cm^3
• Polarizability: 33.29177 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%