1-(3-fluoro-2-methoxybenzoyl)-3-(2-phenylethyl)piperidine

• ChemBase ID: 862460
• Molecular Formular: C21H24FNO2
• Molecular Mass: 341.4191632
• Monoisotopic Mass: 341.17910723
• SMILES: C(=O)(c1c(c(F)ccc1)OC)N1CC(CCc2ccccc2)CCC1
• Canonical SMILES: COc1c(F)cccc1C(=O)N1CCCC(C1)CCc1ccccc1
• InChI: InChI=1S/C21H24FNO2/c1-25-20-18(10-5-11-19(20)22)21(24)23-14-6-9-17(15-23)13-12-16-7-3-2-4-8-16/h2-5,7-8,10-11,17H,6,9,12-15H2,1H3
• InChIKey: JIMGHDHGYPVBFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(3-fluoro-2-methoxybenzoyl)-3-(2-phenylethyl)piperidine
• IUPAC Traditional name: 1-(3-fluoro-2-methoxybenzoyl)-3-(2-phenylethyl)piperidine
• Synonyms: 1-(3-fluoro-2-methoxybenzoyl)-3-(2-phenylethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.4945493
• LogD (pH = 7.4): 4.4945493
• Log P: 4.4945493
• Molar Refractivity: 97.52 cm^3
• Polarizability: 37.010273 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.39
• LOG S: -5.44
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 5