4-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylpiperazine

• ChemBase ID: 841499
• Molecular Formular: C15H24N2O2
• Molecular Mass: 264.36326
• Monoisotopic Mass: 264.18377802
• SMILES: N1(Cc2c(c(OC)ccc2)OC)CC(N(CC1)C)C
• Canonical SMILES: COc1c(cccc1OC)CN1CCN(C(C1)C)C
• InChI: InChI=1S/C15H24N2O2/c1-12-10-17(9-8-16(12)2)11-13-6-5-7-14(18-3)15(13)19-4/h5-7,12H,8-11H2,1-4H3
• InChIKey: BSKLUCGUPGRDHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylpiperazine
• IUPAC Traditional name: 4-[(2,3-dimethoxyphenyl)methyl]-1,2-dimethylpiperazine
• Synonyms: 4-(2,3-dimethoxybenzyl)-1,2-dimethylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8983182
• LogD (pH = 7.4): 0.87040204
• Log P: 1.8629947
• Molar Refractivity: 77.996 cm^3
• Polarizability: 30.58047 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.51
• LOG S: 0.44
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 2