1-(furan-3-carbonyl)-3-(3-methylphenyl)piperidine

• ChemBase ID: 414374
• Molecular Formular: C17H19NO2
• Molecular Mass: 269.33826
• Monoisotopic Mass: 269.14157885
• SMILES: N1(C(=O)c2cocc2)CC(c2cc(ccc2)C)CCC1
• Canonical SMILES: Cc1cccc(c1)C1CCCN(C1)C(=O)c1cocc1
• InChI: InChI=1S/C17H19NO2/c1-13-4-2-5-14(10-13)15-6-3-8-18(11-15)17(19)16-7-9-20-12-16/h2,4-5,7,9-10,12,15H,3,6,8,11H2,1H3
• InChIKey: VDZSTBCLIVRJII-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.274048
• LogD (pH = 7.4): 3.274048
• Log P: 3.274048
• Molar Refractivity: 79.193 cm^3
• Polarizability: 29.862583 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: 3.26
• LOG S: -3.95
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 2