1-(1-{[4-(benzyloxy)-2-methoxyphenyl]methyl}azetidin-3-yl)piperidine

• ChemBase ID: 432733
• Molecular Formular: C23H30N2O2
• Molecular Mass: 366.4965
• Monoisotopic Mass: 366.23072821
• SMILES: N1(CC(N2CCCCC2)C1)Cc1c(cc(OCc2ccccc2)cc1)OC
• Canonical SMILES: COc1cc(ccc1CN1CC(C1)N1CCCCC1)OCc1ccccc1
• InChI: InChI=1S/C23H30N2O2/c1-26-23-14-22(27-18-19-8-4-2-5-9-19)11-10-20(23)15-24-16-21(17-24)25-12-6-3-7-13-25/h2,4-5,8-11,14,21H,3,6-7,12-13,15-18H2,1H3
• InChIKey: ROANCJAFOPKUIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-{[4-(benzyloxy)-2-methoxyphenyl]methyl}azetidin-3-yl)piperidine
• IUPAC Traditional name: 1-(1-{[4-(benzyloxy)-2-methoxyphenyl]methyl}azetidin-3-yl)piperidine
• Synonyms: 1-{1-[4-(benzyloxy)-2-methoxybenzyl]azetidin-3-yl}piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.1584481
• LogD (pH = 7.4): 2.898698
• Log P: 4.081026
• Molar Refractivity: 110.002 cm^3
• Polarizability: 43.147938 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.22
• LOG S: -3.61
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 7