1-(furan-2-carbonyl)-3-(2-phenylethyl)piperidine

• ChemBase ID: 866048
• Molecular Formular: C18H21NO2
• Molecular Mass: 283.36484
• Monoisotopic Mass: 283.15722892
• SMILES: N1(C(=O)c2occc2)CC(CCc2ccccc2)CCC1
• Canonical SMILES: O=C(c1ccco1)N1CCCC(C1)CCc1ccccc1
• InChI: InChI=1S/C18H21NO2/c20-18(17-9-5-13-21-17)19-12-4-8-16(14-19)11-10-15-6-2-1-3-7-15/h1-3,5-7,9,13,16H,4,8,10-12,14H2
• InChIKey: YWUFFOKGFMTBOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(furan-2-carbonyl)-3-(2-phenylethyl)piperidine
• IUPAC Traditional name: 1-(furan-2-carbonyl)-3-(2-phenylethyl)piperidine
• Synonyms: 1-(2-furoyl)-3-(2-phenylethyl)piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.569765
• LogD (pH = 7.4): 3.569765
• Log P: 3.569765
• Molar Refractivity: 83.2313 cm^3
• Polarizability: 31.710691 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: 3.44
• LOG S: -4.42
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 4