CAS 60232-85-1 1-(1-Phenylcyclohexyl)-4-hydroxypiperidine (HCID 98840)

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Basic information

CAS: 60232-85-1
Standard SMILES: OC1CCN(C2(c3ccccc3)CCCCC2)CC1
InChIKey: SLUMSLWGPLFKGY-UHFFFAOYSA-N
Molecular formula: C17H25NO
Average molar mass: 259.4 g/mol
Monoisotopic mass: 259.19361442

Overview

metabolite of phencyclidine; structure given in first source

Names & identifiers

Preferred name: 1-(1-Phenylcyclohexyl)-4-hydroxypiperidine
IUPAC: 1-(1-phenylcyclohexyl)piperidin-4-ol
English name: 1-(1-phenylcyclohexyl)-4-hydroxypiperidine
Molecular formula: C17H25NO
Molecular weight: 259.39

Names & synonyms

60232-85-11-(1-Phenylcyclohexyl)-4-hydroxypiperidine4-Piperidinol, 1-(1-phenylcyclohexyl)-RefChem:9071461-(1-phenylcyclohexyl)piperidin-4-ol4-Hydroxy Phencyclidine4-HydroxyphencyclidineAE1041687FNSC-1705164-Piperidinol, 1[(1-phenyl)-1-cyclohexyl]-4-Hydroxy Phencyclidine (1mg/ml in Acetonitrile)1-(1-Phenylcyclohexyl)-4-piperidinol

Show more names

1-(1-Phenylcyclohexyl)piperidine-4-ol4-Hydroxy-1-(1-phenylcyclohexyl)piperidine

NSC 1705164-Piperidinol,1-(1-phenylcyclohexyl)-N-(1-Phenylcyclohexyl)-4-hydroxypiperidinePiperidine, 1-(1-phenylcyclohexyl)-4-hydroxy-CHEMBL422629SCHEMBL1262334UNII-AE1041687FDTXSID10208979

Database identifiers

CAS: 60232-85-1
PubChem CID: 98840
DTXSID: DTXSID10208979
ChEMBL: CHEMBL422629

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 23.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 19
Formal charge: 0
Complexity: 271

Physicochemical properties

Melting point: 116 · 116-118 °C(Solv: hexane (110-54-3); ethanol (64-17-5))
Boiling point: 400.9 · 400.9±25.0 °C(Predicted)
Density: 1.093 · 1.093±0.06 g/cm3(Predicted)
solubility: 30 mg/ml; · DMF: 30 mg/ml; DMF:PBS(pH 7.2)(1:6): 0.14 mg/ml; DMSO: 25 mg/ml; Ethanol: 30 mg/ml
form: A crystalline solid
pka: 14.86 · 14.86±0.20(Predicted)
FDA UNII: 1041687 F · AE1041687F
Symbol(GHS): 6 · GHS06,GHS08
Signal word: Danger