1-[1-(thiophen-2-yl)cyclohexyl]piperidine hydrochloride

• ChemBase编号: 178145
• 分子式: C15H24ClNS
• 平均质量: 285.87576
• 单一同位素质量: 285.13179845
• SMILES: C1(CCCCC1)(N1CCCCC1)c1sccc1.Cl
• Canonical SMILES: C1CCN(CC1)C1(CCCCC1)c1cccs1.Cl
• InChI: InChI=1S/C15H23NS.ClH/c1-3-9-15(10-4-1,14-8-7-13-17-14)16-11-5-2-6-12-16;/h7-8,13H,1-6,9-12H2;1H
• InChIKey: IIPLEZRBGQCZMF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-[1-(thiophen-2-yl)cyclohexyl]piperidine hydrochloride
• IUPAC传统名: tenocyclidine hydrochloride
• 别名: 1-[1-(2-Thienyl)cyclohexyl]piperidine Hydrochloride; GK 0; N-[1-(2-Thienyl)cyclohexyl]piperidine; TCP; Thienylcyclidine; Thienylphencyclidine; Tenocyclidine Hydrochloride

登记号

• CAS号: 1867-65-8
• PubChem SID: 164234055
• PubChem CID: 16640802

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 0.91516256
• LogD (pH = 7.4): 1.4914384
• Log P: 4.4009295
• 摩尔折射率: 74.5364 cm^3
• 极化性: 29.313116 Å^3
• 极化表面积: 3.24 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - T018450

An analog of the hallucinogen Phencyclidine (P295500).

参考文献

• Maddox, V.H., et al.: J. Med. Chem., 8, 230 (1965)