1-[1-(4-methoxyphenyl)cyclohexyl]piperidine hydrochloride

• ChemBase编号: 173089
• 分子式: C18H28ClNO
• 平均质量: 309.87402
• 单一同位素质量: 309.1859422
• SMILES: c1(C2(N3CCCCC3)CCCCC2)ccc(cc1)OC.Cl
• Canonical SMILES: COc1ccc(cc1)C1(CCCCC1)N1CCCCC1.Cl
• InChI: InChI=1S/C18H27NO.ClH/c1-20-17-10-8-16(9-11-17)18(12-4-2-5-13-18)19-14-6-3-7-15-19;/h8-11H,2-7,12-15H2,1H3;1H
• InChIKey: FYAFJNVLHWQLHK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[1-(4-methoxyphenyl)cyclohexyl]piperidine hydrochloride
• IUPAC传统名: 4-MeO-PCP hydrochloride
• 别名: 1-[1-(4-Methoxyphenyl)cyclohexyl]piperidine Hydrochloride; 1-[1-(p-Methoxyphenyl)cyclohexyl]piperidine Hydrochloride; 4-Methoxy Phencyclidine Hydrochloride

登记号

• CAS号: 2185-93-5
• PubChem SID: 164228999
• PubChem CID: 71750128

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 0.86051756
• LogD (pH = 7.4): 1.6722828
• Log P: 4.3303766
• 摩尔折射率: 84.1097 cm^3
• 极化性: 33.203453 Å^3
• 极化表面积: 12.47 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - M265275

Phencyclidine (P295500) analog as anticholinergic agent.

参考文献

• Kalir, A., et al.: J. Med. Chem., 12, 473 (1969)
• Maayani, S., et al.: Biochem. Pharmacol., 23, 1263 (1969)