3-[2-(2,6-difluorophenyl)ethyl]-1-[1-(methoxymethyl)cyclobutanecarbonyl]piperidine

• ChemBase ID: 620377
• Molecular Formular: C20H27F2NO2
• Molecular Mass: 351.4306864
• Monoisotopic Mass: 351.20098555
• SMILES: N1(C(=O)C2(COC)CCC2)CC(CCc2c(F)cccc2F)CCC1
• Canonical SMILES: COCC1(CCC1)C(=O)N1CCCC(C1)CCc1c(F)cccc1F
• InChI: InChI=1S/C20H27F2NO2/c1-25-14-20(10-4-11-20)19(24)23-12-3-5-15(13-23)8-9-16-17(21)6-2-7-18(16)22/h2,6-7,15H,3-5,8-14H2,1H3
• InChIKey: BTDCGLNPYSDCFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2,6-difluorophenyl)ethyl]-1-[1-(methoxymethyl)cyclobutanecarbonyl]piperidine
• IUPAC Traditional name: 3-[2-(2,6-difluorophenyl)ethyl]-1-[1-(methoxymethyl)cyclobutanecarbonyl]piperidine
• Synonyms: 3-[2-(2,6-difluorophenyl)ethyl]-1-{[1-(methoxymethyl)cyclobutyl]carbonyl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.0834813
• LogD (pH = 7.4): 4.0834823
• Log P: 4.0834823
• Molar Refractivity: 93.6298 cm^3
• Polarizability: 35.83745 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.92
• LOG S: -5.11
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 6