4-[1-(2-phenylbenzoyl)piperidin-4-yl]pyridine

• ChemBase ID: 629140
• Molecular Formular: C23H22N2O
• Molecular Mass: 342.43358
• Monoisotopic Mass: 342.17321333
• SMILES: C(=O)(c1c(c2ccccc2)cccc1)N1CCC(CC1)c1ccncc1
• Canonical SMILES: O=C(c1ccccc1c1ccccc1)N1CCC(CC1)c1ccncc1
• InChI: InChI=1S/C23H22N2O/c26-23(22-9-5-4-8-21(22)20-6-2-1-3-7-20)25-16-12-19(13-17-25)18-10-14-24-15-11-18/h1-11,14-15,19H,12-13,16-17H2
• InChIKey: WHJDFUYFOZAOAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[1-(2-phenylbenzoyl)piperidin-4-yl]pyridine
• IUPAC Traditional name: 4-[1-(2-phenylbenzoyl)piperidin-4-yl]pyridine
• Synonyms: 4-[1-(2-biphenylylcarbonyl)-4-piperidinyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.8568387
• LogD (pH = 7.4): 3.9702644
• Log P: 3.9719803
• Molar Refractivity: 104.6947 cm^3
• Polarizability: 41.365704 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.95
• LOG S: -2.92
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 3