1-(2-chloro-6-fluorobenzoyl)-3-[2-(4-fluorophenyl)ethyl]piperidine

• ChemBase ID: 845707
• Molecular Formular: C20H20ClF2NO
• Molecular Mass: 363.8287064
• Monoisotopic Mass: 363.12014839
• SMILES: C(=O)(c1c(F)cccc1Cl)N1CC(CCc2ccc(F)cc2)CCC1
• Canonical SMILES: Fc1ccc(cc1)CCC1CCCN(C1)C(=O)c1c(F)cccc1Cl
• InChI: InChI=1S/C20H20ClF2NO/c21-17-4-1-5-18(23)19(17)20(25)24-12-2-3-15(13-24)7-6-14-8-10-16(22)11-9-14/h1,4-5,8-11,15H,2-3,6-7,12-13H2
• InChIKey: IOEOVIVOFPDNMK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-chloro-6-fluorobenzoyl)-3-[2-(4-fluorophenyl)ethyl]piperidine
• IUPAC Traditional name: 1-(2-chloro-6-fluorobenzoyl)-3-[2-(4-fluorophenyl)ethyl]piperidine
• Synonyms: 1-(2-chloro-6-fluorobenzoyl)-3-[2-(4-fluorophenyl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.398967
• LogD (pH = 7.4): 5.3989673
• Log P: 5.3989673
• Molar Refractivity: 96.078 cm^3
• Polarizability: 36.089546 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 4.25
• LOG S: -5.48
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4