4-{3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2,2-dimethylpropyl}morpholine

• ChemBase ID: 398065
• Molecular Formular: C21H35N3O2
• Molecular Mass: 361.5215
• Monoisotopic Mass: 361.27292738
• SMILES: N1(c2c(OC)cccc2)CC(N(CC(CN2CCOCC2)(C)C)CC1)C
• Canonical SMILES: COc1ccccc1N1CCN(C(C1)C)CC(CN1CCOCC1)(C)C
• InChI: InChI=1S/C21H35N3O2/c1-18-15-23(19-7-5-6-8-20(19)25-4)9-10-24(18)17-21(2,3)16-22-11-13-26-14-12-22/h5-8,18H,9-17H2,1-4H3
• InChIKey: ZHYIVQQJXSVLSU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-{3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2,2-dimethylpropyl}morpholine
• IUPAC Traditional name: 4-{3-[4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-2,2-dimethylpropyl}morpholine
• Synonyms: 4-{3-[4-(2-methoxyphenyl)-2-methyl-1-piperazinyl]-2,2-dimethylpropyl}morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.4926356
• LogD (pH = 7.4): 1.7766875
• Log P: 3.019092
• Molar Refractivity: 108.137 cm^3
• Polarizability: 42.06388 Å^3
• Polar Surface Area: 28.18 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.98
• LOG S: -3.37
• Polar Surface Area: 28.18 Å^2
• Rotatable Bonds: 6