[(3,5-dimethoxyphenyl)methyl](methyl)({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)amine

• ChemBase ID: 500347
• Molecular Formular: C22H32N2O3
• Molecular Mass: 372.50108
• Monoisotopic Mass: 372.24129289
• SMILES: c1(oc(cc1)C)CN1CCC(CN(Cc2cc(cc(c2)OC)OC)C)CC1
• Canonical SMILES: COc1cc(CN(CC2CCN(CC2)Cc2ccc(o2)C)C)cc(c1)OC
• InChI: InChI=1S/C22H32N2O3/c1-17-5-6-20(27-17)16-24-9-7-18(8-10-24)14-23(2)15-19-11-21(25-3)13-22(12-19)26-4/h5-6,11-13,18H,7-10,14-16H2,1-4H3
• InChIKey: WYVKGMLWBBQCTR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3,5-dimethoxyphenyl)methyl](methyl)({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)amine
• IUPAC Traditional name: [(3,5-dimethoxyphenyl)methyl](methyl)({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)amine
• Synonyms: (3,5-dimethoxybenzyl)methyl({1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.282024
• LogD (pH = 7.4): -0.17226395
• Log P: 3.070988
• Molar Refractivity: 109.9494 cm^3
• Polarizability: 42.481518 Å^3
• Polar Surface Area: 38.08 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.12
• LOG S: -2.18
• Polar Surface Area: 38.08 Å^2
• Rotatable Bonds: 6