1-(2-fluorobenzoyl)-3-(4-fluorophenoxymethyl)piperidine

• ChemBase ID: 424320
• Molecular Formular: C19H19F2NO2
• Molecular Mass: 331.3564664
• Monoisotopic Mass: 331.13838529
• SMILES: C(=O)(N1CC(COc2ccc(F)cc2)CCC1)c1c(F)cccc1
• Canonical SMILES: Fc1ccc(cc1)OCC1CCCN(C1)C(=O)c1ccccc1F
• InChI: InChI=1S/C19H19F2NO2/c20-15-7-9-16(10-8-15)24-13-14-4-3-11-22(12-14)19(23)17-5-1-2-6-18(17)21/h1-2,5-10,14H,3-4,11-13H2
• InChIKey: MVVKRWQCFBGAHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorobenzoyl)-3-(4-fluorophenoxymethyl)piperidine
• IUPAC Traditional name: 1-(2-fluorobenzoyl)-3-(4-fluorophenoxymethyl)piperidine
• Synonyms: 1-(2-fluorobenzoyl)-3-[(4-fluorophenoxy)methyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7110107
• LogD (pH = 7.4): 3.7110107
• Log P: 3.7110107
• Molar Refractivity: 88.066 cm^3
• Polarizability: 33.10898 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.72
• LOG S: -3.94
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4