1-[1-(2H5)phenylcyclohexyl]piperidine hydrochloride

• ChemBase ID: 176447
• Molecular Formular: C17H26ClN
• Molecular Mass: 279.84804
• Monoisotopic Mass: 279.17537752
• SMILES: c1(C2(N3CCCCC3)CCCCC2)ccccc1.Cl
• Canonical SMILES: C1CCC(CC1)(N1CCCCC1)c1ccccc1.Cl
• InChI: InChI=1S/C17H25N.ClH/c1-4-10-16(11-5-1)17(12-6-2-7-13-17)18-14-8-3-9-15-18;/h1,4-5,10-11H,2-3,6-9,12-15H2;1H
• InChIKey: BUAJNGPDPGKBGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(^2H₅)phenylcyclohexyl]piperidine hydrochloride
• IUPAC Traditional name: 1-[1-(^2H₅)phenylcyclohexyl]piperidine hydrochloride
• Synonyms: 1-[1-(Phenyl-d5)cyclohexyl]piperidine Hydrochloride; CI 395-d5; Elysion-d5; GP 121-d5; MCV 4158-d5; NIH 9580-d5; NSC 40902-d5; PCP Hydrochloride-d5; Phencyclidine-d5 Monohydrochloride; Phenylcyclidine-d5 Hydrochloride; Sernyl-d5; Sernyl-d5 Hydrochloride; Sernylan-d5; Phencyclidine-d5 Hydrochloride

Database IDs

• CAS Number: 60124-79-0
• PubChem SID: 164232357
• PubChem CID: 71751566

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.996464
• LogD (pH = 7.4): 1.4359076
• Log P: 4.488048
• Molar Refractivity: 77.6465 cm^3
• Polarizability: 30.750978 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: White Solid
• Melting Point: 226-228°C

Safety Information

• Storage Condition: Controlled Substance, -20°C Freezer, Under Inert Atmosphere

DETAILS

Toronto Research Chemicals - P295502

Labelled Phencyclidine (P295500). Anesthetic (intravenous). Controlled substance (depressant).

REFERENCES

• Chen, G., et al.: J. Pharmacol. Exp. Ther., 127, 241 (1959)
• Bailey, K., et al.: J. Pharm. Pharmacol., 28, 713 (1959)
• Balster, R.L., J. Psychedelic Drugs., 10115 (1959)
• Johnson, K.M., et al.: Annu. Rev. Pharmacol. Toxicol., 30, 707 (1959)