1,4-bis(diphenylmethyl)piperazine

• ChemBase编号: 162169
• 分子式: C30H30N2
• 平均质量: 418.5726
• 单一同位素质量: 418.24089897
• SMILES: C1N(CCN(C1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)C(c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C30H30N2/c1-5-13-25(14-6-1)29(26-15-7-2-8-16-26)31-21-23-32(24-22-31)30(27-17-9-3-10-18-27)28-19-11-4-12-20-28/h1-20,29-30H,21-24H2
• InChIKey: FLOADUFBZDDTPV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,4-bis(diphenylmethyl)piperazine
• IUPAC传统名: 1,4-bis(diphenylmethyl)piperazine
• 别名: 1,4-Bis(diphenylmethyl)piperazine Hydrochloride; 1,4-Bis(benzhydryl)piperazine Dihydrochloride

登记号

• CAS号: 56265-29-3
• PubChem SID: 162256304
• PubChem CID: 1640356

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 4.214043
• LogD (pH = 7.4): 5.9729524
• Log P: 7.0547156
• 摩尔折射率: 133.829 cm^3
• 极化性: 52.67608 Å^3
• 极化表面积: 6.48 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

详细说明

Toronto Research Chemicals - B408500

Cinnarizine (C465300) impurity.

参考文献

• Zhang, H., et al.: Biochemistry, 43, 8290 (2004)
• Pandey, A., et al.: J. Pharm. Biomed. Anal., 20, 203 (2004)
• Andrews, S., et al.: J. Med. Chem., 53, 916 (2004)