3-[2-(3-fluorophenyl)ethyl]-1-(furan-2-carbonyl)piperidine

• ChemBase ID: 326266
• Molecular Formular: C18H20FNO2
• Molecular Mass: 301.3553032
• Monoisotopic Mass: 301.14780711
• SMILES: N1(C(=O)c2occc2)CC(CCc2cc(F)ccc2)CCC1
• Canonical SMILES: Fc1cccc(c1)CCC1CCCN(C1)C(=O)c1ccco1
• InChI: InChI=1S/C18H20FNO2/c19-16-6-1-4-14(12-16)8-9-15-5-2-10-20(13-15)18(21)17-7-3-11-22-17/h1,3-4,6-7,11-12,15H,2,5,8-10,13H2
• InChIKey: QKZTVOKWFHEKTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(3-fluorophenyl)ethyl]-1-(furan-2-carbonyl)piperidine
• IUPAC Traditional name: 3-[2-(3-fluorophenyl)ethyl]-1-(furan-2-carbonyl)piperidine
• Synonyms: 3-[2-(3-fluorophenyl)ethyl]-1-(2-furoyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.7124672
• LogD (pH = 7.4): 3.7124672
• Log P: 3.7124672
• Molar Refractivity: 83.4477 cm^3
• Polarizability: 31.381346 Å^3
• Polar Surface Area: 33.45 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: 3.58
• LOG S: -4.8
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 4