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

• ChemBase ID: 178145
• Molecular Formular: C15H24ClNS
• Molecular Mass: 285.87576
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(thiophen-2-yl)cyclohexyl]piperidine hydrochloride
• IUPAC Traditional name: tenocyclidine hydrochloride
• Synonyms: 1-[1-(2-Thienyl)cyclohexyl]piperidine Hydrochloride; GK 0; N-[1-(2-Thienyl)cyclohexyl]piperidine; TCP; Thienylcyclidine; Thienylphencyclidine; Tenocyclidine Hydrochloride

Database IDs

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

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.91516256
• LogD (pH = 7.4): 1.4914384
• Log P: 4.4009295
• Molar Refractivity: 74.5364 cm^3
• Polarizability: 29.313116 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - T018450

An analog of the hallucinogen Phencyclidine (P295500).

REFERENCES

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