N-{[5-(methoxymethyl)furan-2-yl]methyl}-1-[(3-methoxyphenyl)methyl]piperidin-3-amine

• ChemBase ID: 433230
• Molecular Formular: C20H28N2O3
• Molecular Mass: 344.44792
• Monoisotopic Mass: 344.20999277
• SMILES: N1(Cc2cc(OC)ccc2)CC(NCc2oc(cc2)COC)CCC1
• Canonical SMILES: COCc1ccc(o1)CNC1CCCN(C1)Cc1cccc(c1)OC
• InChI: InChI=1S/C20H28N2O3/c1-23-15-20-9-8-19(25-20)12-21-17-6-4-10-22(14-17)13-16-5-3-7-18(11-16)24-2/h3,5,7-9,11,17,21H,4,6,10,12-15H2,1-2H3
• InChIKey: UHZJJSSROCITNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(methoxymethyl)furan-2-yl]methyl}-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
• IUPAC Traditional name: N-{[5-(methoxymethyl)furan-2-yl]methyl}-1-[(3-methoxyphenyl)methyl]piperidin-3-amine
• Synonyms: 1-(3-methoxybenzyl)-N-{[5-(methoxymethyl)-2-furyl]methyl}-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.31464425
• LogD (pH = 7.4): 1.4325078
• Log P: 2.43863
• Molar Refractivity: 99.4476 cm^3
• Polarizability: 38.883846 Å^3
• Polar Surface Area: 46.87 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.07
• LOG S: -1.98
• Polar Surface Area: 46.87 Å^2
• Rotatable Bonds: 6