4-{1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-yl}morpholine

• ChemBase ID: 703789
• Molecular Formular: C20H33N3O2
• Molecular Mass: 347.49492
• Monoisotopic Mass: 347.25727731
• SMILES: N1(CC(N2CCOCC2)(C)C)C(CN(c2ccc(cc2)OC)CC1)C
• Canonical SMILES: COc1ccc(cc1)N1CCN(C(C1)C)CC(N1CCOCC1)(C)C
• InChI: InChI=1S/C20H33N3O2/c1-17-15-21(18-5-7-19(24-4)8-6-18)9-10-22(17)16-20(2,3)23-11-13-25-14-12-23/h5-8,17H,9-16H2,1-4H3
• InChIKey: DFVCJZMCDLQJJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-yl}morpholine
• IUPAC Traditional name: 4-{1-[4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-2-methylpropan-2-yl}morpholine
• Synonyms: 4-{2-[4-(4-methoxyphenyl)-2-methyl-1-piperazinyl]-1,1-dimethylethyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.5031985
• LogD (pH = 7.4): 1.1765182
• Log P: 2.6846087
• Molar Refractivity: 103.5693 cm^3
• Polarizability: 40.217854 Å^3
• Polar Surface Area: 28.18 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.56
• LOG S: -2.91
• Polar Surface Area: 28.18 Å^2
• Rotatable Bonds: 5