methyl({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl){[4-(propan-2-yloxy)phenyl]methyl}amine

• ChemBase ID: 348388
• Molecular Formular: C23H34N2O2
• Molecular Mass: 370.52826
• Monoisotopic Mass: 370.26202834
• SMILES: c1(oc(cc1)C)CN1CCC(CN(Cc2ccc(OC(C)C)cc2)C)CC1
• Canonical SMILES: CN(Cc1ccc(cc1)OC(C)C)CC1CCN(CC1)Cc1ccc(o1)C
• InChI: InChI=1S/C23H34N2O2/c1-18(2)26-22-9-6-20(7-10-22)15-24(4)16-21-11-13-25(14-12-21)17-23-8-5-19(3)27-23/h5-10,18,21H,11-17H2,1-4H3
• InChIKey: BUJDGHKWFJFSCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl){[4-(propan-2-yloxy)phenyl]methyl}amine
• IUPAC Traditional name: [(4-isopropoxyphenyl)methyl](methyl)({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)amine
• Synonyms: (4-isopropoxybenzyl)methyl({1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}methyl)amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.4304442
• LogD (pH = 7.4): 0.44704005
• Log P: 4.0020423
• Molar Refractivity: 112.6536 cm^3
• Polarizability: 43.665333 Å^3
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.87
• LOG S: -3.37
• Polar Surface Area: 28.85 Å^2
• Rotatable Bonds: 7