3-(4-chlorobenzoyl)-1-cyclohexylpiperidine

• ChemBase ID: 702148
• Molecular Formular: C18H24ClNO
• Molecular Mass: 305.84226
• Monoisotopic Mass: 305.15464207
• SMILES: N1(CC(C(=O)c2ccc(cc2)Cl)CCC1)C1CCCCC1
• Canonical SMILES: Clc1ccc(cc1)C(=O)C1CCCN(C1)C1CCCCC1
• InChI: InChI=1S/C18H24ClNO/c19-16-10-8-14(9-11-16)18(21)15-5-4-12-20(13-15)17-6-2-1-3-7-17/h8-11,15,17H,1-7,12-13H2
• InChIKey: FIMXXZJMCVZWCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-chlorobenzoyl)-1-cyclohexylpiperidine
• IUPAC Traditional name: 3-(4-chlorobenzoyl)-1-cyclohexylpiperidine
• Synonyms: (4-chlorophenyl)(1-cyclohexyl-3-piperidinyl)methanone

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.45232
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2592834
• LogD (pH = 7.4): 2.7021878
• Log P: 4.5767417
• Molar Refractivity: 87.8521 cm^3
• Polarizability: 34.413754 Å^3
• Polar Surface Area: 20.31 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: 4.99
• LOG S: -3.92
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 3