2-(4-fluorophenyl)-1-(furan-2-carbonyl)piperidine

• ChemBase ID: 734313
• Molecular Formular: C16H16FNO2
• Molecular Mass: 273.3021432
• Monoisotopic Mass: 273.11650698
• SMILES: N1(C(=O)c2occc2)C(c2ccc(cc2)F)CCCC1
• Canonical SMILES: Fc1ccc(cc1)C1CCCCN1C(=O)c1ccco1
• InChI: InChI=1S/C16H16FNO2/c17-13-8-6-12(7-9-13)14-4-1-2-10-18(14)16(19)15-5-3-11-20-15/h3,5-9,11,14H,1-2,4,10H2
• InChIKey: KGWJCPMREZWXNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-1-(furan-2-carbonyl)piperidine
• IUPAC Traditional name: 2-(4-fluorophenyl)-1-(furan-2-carbonyl)piperidine
• Synonyms: 2-(4-fluorophenyl)-1-(2-furoyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.108793
• LogD (pH = 7.4): 3.1087933
• Log P: 3.1087933
• Molar Refractivity: 73.9619 cm^3
• Polarizability: 27.782558 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.03
• LOG S: -3.78
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 2