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

• ChemBase ID: 177591
• Molecular Formular: C16H24ClN
• Molecular Mass: 265.82146
• Monoisotopic Mass: 265.15972745
• SMILES: C1(CCCCC1)(c1ccccc1)N1CCCC1.Cl
• Canonical SMILES: C1CCC(CC1)(N1CCCC1)c1ccccc1.Cl
• InChI: InChI=1S/C16H23N.ClH/c1-3-9-15(10-4-1)16(11-5-2-6-12-16)17-13-7-8-14-17;/h1,3-4,9-10H,2,5-8,11-14H2;1H
• InChIKey: FEUATZUGYUSKIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[1-(^2H₅)phenylcyclohexyl]pyrrolidine hydrochloride
• IUPAC Traditional name: 1-[1-(^2H₅)phenylcyclohexyl]pyrrolidine hydrochloride
• Synonyms: 1-(1-Phenylcyclohexyl)pyrrolidine-d5 Hydrochloride; Rolicyclidine-d5 Hydrochloride

Database IDs

• CAS Number: 1246815-30-4
• PubChem SID: 164233501
• PubChem CID: 71752098

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.5492235
• LogD (pH = 7.4): 0.9067703
• Log P: 4.0434794
• Molar Refractivity: 73.0455 cm^3
• Polarizability: 28.903955 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Pale Beige Solid
• Melting Point: 212-215°C (dec.)

Safety Information

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

DETAILS

Toronto Research Chemicals - R639902

A labelled analog of the hallucinogen Phencyclidine (P295500).

REFERENCES

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