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

• ChemBase ID: 638427
• Molecular Formular: C20H32N2O3
• Molecular Mass: 348.47968
• Monoisotopic Mass: 348.24129289
• SMILES: N1(C(CN2CCOCC2)CCCC1)Cc1cc(c(cc1)OC)COC
• Canonical SMILES: COCc1cc(ccc1OC)CN1CCCCC1CN1CCOCC1
• InChI: InChI=1S/C20H32N2O3/c1-23-16-18-13-17(6-7-20(18)24-2)14-22-8-4-3-5-19(22)15-21-9-11-25-12-10-21/h6-7,13,19H,3-5,8-12,14-16H2,1-2H3
• InChIKey: MBGGRDLTUYVCFO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(1-{[4-methoxy-3-(methoxymethyl)phenyl]methyl}piperidin-2-yl)methyl]morpholine
• IUPAC Traditional name: 4-[(1-{[4-methoxy-3-(methoxymethyl)phenyl]methyl}piperidin-2-yl)methyl]morpholine
• Synonyms: 4-({1-[4-methoxy-3-(methoxymethyl)benzyl]piperidin-2-yl}methyl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.7874157
• LogD (pH = 7.4): 0.91632694
• Log P: 2.3430252
• Molar Refractivity: 101.5368 cm^3
• Polarizability: 39.757042 Å^3
• Polar Surface Area: 34.17 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.81
• LOG S: -2.28
• Polar Surface Area: 34.17 Å^2
• Rotatable Bonds: 7