4-[4-(2-methoxyphenyl)benzoyl]-1,2-dimethylpiperazine

• ChemBase ID: 612821
• Molecular Formular: C20H24N2O2
• Molecular Mass: 324.41676
• Monoisotopic Mass: 324.18377802
• SMILES: N1(C(=O)c2ccc(c3c(OC)cccc3)cc2)CC(N(CC1)C)C
• Canonical SMILES: COc1ccccc1c1ccc(cc1)C(=O)N1CCN(C(C1)C)C
• InChI: InChI=1S/C20H24N2O2/c1-15-14-22(13-12-21(15)2)20(23)17-10-8-16(9-11-17)18-6-4-5-7-19(18)24-3/h4-11,15H,12-14H2,1-3H3
• InChIKey: IQXUVQNENZPOIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[4-(2-methoxyphenyl)benzoyl]-1,2-dimethylpiperazine
• IUPAC Traditional name: 4-[4-(2-methoxyphenyl)benzoyl]-1,2-dimethylpiperazine
• Synonyms: 4-[(2'-methoxybiphenyl-4-yl)carbonyl]-1,2-dimethylpiperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3907704
• LogD (pH = 7.4): 2.8380754
• Log P: 3.024487
• Molar Refractivity: 96.9981 cm^3
• Polarizability: 38.511738 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.15
• LOG S: -3.4
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 3