1-{[4-(furan-2-yl)phenyl]methyl}-4-methoxypiperidine

• ChemBase ID: 469747
• Molecular Formular: C17H21NO2
• Molecular Mass: 271.35414
• Monoisotopic Mass: 271.15722892
• SMILES: c1(occc1)c1ccc(CN2CCC(CC2)OC)cc1
• Canonical SMILES: COC1CCN(CC1)Cc1ccc(cc1)c1ccco1
• InChI: InChI=1S/C17H21NO2/c1-19-16-8-10-18(11-9-16)13-14-4-6-15(7-5-14)17-3-2-12-20-17/h2-7,12,16H,8-11,13H2,1H3
• InChIKey: JOLXAQGOUKKKTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{[4-(furan-2-yl)phenyl]methyl}-4-methoxypiperidine
• IUPAC Traditional name: 1-{[4-(furan-2-yl)phenyl]methyl}-4-methoxypiperidine
• Synonyms: 1-[4-(2-furyl)benzyl]-4-methoxypiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.63699555
• LogD (pH = 7.4): 0.9375126
• Log P: 2.5833006
• Molar Refractivity: 80.6033 cm^3
• Polarizability: 32.562378 Å^3
• Polar Surface Area: 25.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.01
• LOG S: -2.74
• Polar Surface Area: 25.61 Å^2
• Rotatable Bonds: 4