{[4-methoxy-3-(methoxymethyl)phenyl]methyl}(methyl)({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)amine

• ChemBase ID: 501604
• Molecular Formular: C23H34N2O3
• Molecular Mass: 386.52766
• Monoisotopic Mass: 386.25694296
• SMILES: c1(oc(cc1)C)CN1CCC(CN(Cc2cc(c(cc2)OC)COC)C)CC1
• Canonical SMILES: COCc1cc(ccc1OC)CN(CC1CCN(CC1)Cc1ccc(o1)C)C
• InChI: InChI=1S/C23H34N2O3/c1-18-5-7-22(28-18)16-25-11-9-19(10-12-25)14-24(2)15-20-6-8-23(27-4)21(13-20)17-26-3/h5-8,13,19H,9-12,14-17H2,1-4H3
• InChIKey: CBBYAZYQZXRFKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[4-methoxy-3-(methoxymethyl)phenyl]methyl}(methyl)({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)amine
• IUPAC Traditional name: {[4-methoxy-3-(methoxymethyl)phenyl]methyl}(methyl)({1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl}methyl)amine
• Synonyms: 1-[4-methoxy-3-(methoxymethyl)phenyl]-N-methyl-N-({1-[(5-methyl-2-furyl)methyl]-4-piperidinyl}methyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3112845
• LogD (pH = 7.4): -0.36892423
• Log P: 3.104436
• Molar Refractivity: 115.0533 cm^3
• Polarizability: 44.33514 Å^3
• Polar Surface Area: 38.08 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.81
• LOG S: -2.53
• Polar Surface Area: 38.08 Å^2
• Rotatable Bonds: 7