1-[1-(2H5)phenylcyclohexyl]piperidin-4-ol

• ChemBase ID: 171046
• Molecular Formular: C17H25NO
• Molecular Mass: 259.3865
• Monoisotopic Mass: 259.19361443
• SMILES: c1(C2(N3CCC(CC3)O)CCCCC2)ccccc1
• Canonical SMILES: OC1CCN(CC1)C1(CCCCC1)c1ccccc1
• InChI: InChI=1S/C17H25NO/c19-16-9-13-18(14-10-16)17(11-5-2-6-12-17)15-7-3-1-4-8-15/h1,3-4,7-8,16,19H,2,5-6,9-14H2
• InChIKey: SLUMSLWGPLFKGY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(^2H₅)phenylcyclohexyl]piperidin-4-ol
• IUPAC Traditional name: 1-[1-(^2H₅)phenylcyclohexyl]piperidin-4-ol
• Synonyms: 1-(1-Phenylcyclohexyl)-4-hydroxypiperidine-d5; 1-(1-Phenylcyclohexyl)piperidine-4-ol-d5; 4-Hydroxy-1-(1-phenylcyclohexyl)piperidine-d5; 4-Hydroxyphencyclidine-d5; N-(1-Phenylcyclohexyl)-4-hydroxypiperidine-d5; NSC 170516-d5; PHP-d5; 4-Hydroxy Phencyclidine-d5

Database IDs

• PubChem SID: 164226956
• PubChem CID: 71749236

CALCULATED PROPERTIES

• Acid pKa: 15.179206
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.50958544
• LogD (pH = 7.4): 0.349967
• Log P: 2.9557414
• Molar Refractivity: 79.2288 cm^3
• Polarizability: 31.32283 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - H948952

Labelled analogue of 4-Hydroxy Phencyclidine, a major monohydroxy metabolite of Phencyclidine (P295502) that produces PCP-like stimuli.

REFERENCES

• Wong, L.K. et al.: Clin. Toxicol., 9, 583 (1976)
• Shannon, H.E. et al.: J. Pharmacol. Exp. Therap., 216, 543 (1976)
• Solomon, R.E. et al.: Eur. J. Pharmacol., 82, 233 (1976)
• Boggan, W.O. et al.: Pharmacol. Biochem. Behav., 26, 847 (1976)