{[4-(furan-2-yl)phenyl]methyl}(methyl)(piperidin-3-ylmethyl)amine

• ChemBase ID: 714901
• Molecular Formular: C18H24N2O
• Molecular Mass: 284.39596
• Monoisotopic Mass: 284.1888634
• SMILES: c1(occc1)c1ccc(CN(CC2CNCCC2)C)cc1
• Canonical SMILES: CN(Cc1ccc(cc1)c1ccco1)CC1CCCNC1
• InChI: InChI=1S/C18H24N2O/c1-20(14-16-4-2-10-19-12-16)13-15-6-8-17(9-7-15)18-5-3-11-21-18/h3,5-9,11,16,19H,2,4,10,12-14H2,1H3
• InChIKey: QVIOAPXMCFYKEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-(furan-2-yl)phenyl]methyl}(methyl)(piperidin-3-ylmethyl)amine
• IUPAC Traditional name: {[4-(furan-2-yl)phenyl]methyl}(methyl)(piperidin-3-ylmethyl)amine
• Synonyms: 1-[4-(2-furyl)phenyl]-N-methyl-N-(piperidin-3-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7988427
• LogD (pH = 7.4): -0.6632083
• Log P: 2.7680302
• Molar Refractivity: 87.0034 cm^3
• Polarizability: 35.282234 Å^3
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.48
• LOG S: -3.24
• Polar Surface Area: 28.41 Å^2
• Rotatable Bonds: 5