1-cyclobutanecarbonyl-3-[2-(2-fluorophenyl)ethyl]piperidine

• ChemBase ID: 764639
• Molecular Formular: C18H24FNO
• Molecular Mass: 289.3876632
• Monoisotopic Mass: 289.18419261
• SMILES: N1(C(=O)C2CCC2)CC(CCc2c(F)cccc2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)CCc1ccccc1F)C1CCC1
• InChI: InChI=1S/C18H24FNO/c19-17-9-2-1-6-15(17)11-10-14-5-4-12-20(13-14)18(21)16-7-3-8-16/h1-2,6,9,14,16H,3-5,7-8,10-13H2
• InChIKey: VEIFYKYAIDPKNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclobutanecarbonyl-3-[2-(2-fluorophenyl)ethyl]piperidine
• IUPAC Traditional name: 1-cyclobutanecarbonyl-3-[2-(2-fluorophenyl)ethyl]piperidine
• Synonyms: 1-(cyclobutylcarbonyl)-3-[2-(2-fluorophenyl)ethyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.02241
• LogD (pH = 7.4): 4.022411
• Log P: 4.022411
• Molar Refractivity: 82.3865 cm^3
• Polarizability: 31.75215 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 0
• Log P: 3.5
• LOG S: -4.34
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 4