1-(3-chlorophenyl)piperazine

• ChemBase编号: 164567
• 分子式: C10H13ClN2
• 平均质量: 196.67662
• 单一同位素质量: 196.07672611
• SMILES: C1NCCN(C1)c1cccc(c1)Cl
• Canonical SMILES: Clc1cccc(c1)N1CCNCC1
• InChI: InChI=1S/C10H13ClN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2
• InChIKey: VHFVKMTVMIZMIK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-(3-chlorophenyl)piperazine
• IUPAC传统名: m-chlorophenylpiperazine
• 别名: 1-(m-Chlorophenyl)piperazine; 4-(3-Chlorophenyl)piperazine; N-(3-Chlorophenyl)piperazine; N-(m-Chlorophenyl)piperazine; NSC 49307; mCPP; 1-(3-Chlorophenyl)piperazine

登记号

• CAS号: 6640-24-0
• PubChem SID: 162258702
• PubChem CID: 1355

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.8511092
• LogD (pH = 7.4): 0.6721104
• Log P: 2.149406
• 摩尔折射率: 56.0468 cm^3
• 极化性: 21.49175 Å^3
• 极化表面积: 15.27 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Methanol
• 外观: Pale Orange Oil

安全信息

• 保存条件: -20°C Freezer, Under Inert Atmosphere

详细说明

Toronto Research Chemicals - C379590

It is noteworthy that 1-(3-Chlorphenyl)piperazine (m-CPP), resulting from N-dealkylation of Trazodone, is a major circulating metabolite in humans common to several antidepressants including Trazodone, Nefazodone, and Etoperidone. The metabolite m-CPP is

参考文献

• Melzacka, M., et al.: Pol. J. Pharmacol Pharm., 32, 551 (1980)
• Fong, M.H., et al.: J. Pharm. Pharmacol., 34, 674 (1980)
• Fiorella, D., et al.: Psychopharmacology, 119, 220 (1980)
• Maes, M., et al.: J. Clin. Psychopharmacol., 17, 358 (1980)
• Bo Wen, et al