1-(2-phenylpropan-2-yl)piperidine

• ChemBase ID: 176623
• Molecular Formular: C14H21N
• Molecular Mass: 203.32324
• Monoisotopic Mass: 203.16739968
• SMILES: CC(C)(c1ccccc1)N1CCCCC1
• Canonical SMILES: CC(c1ccccc1)(N1CCCCC1)C
• InChI: InChI=1S/C14H21N/c1-14(2,13-9-5-3-6-10-13)15-11-7-4-8-12-15/h3,5-6,9-10H,4,7-8,11-12H2,1-2H3
• InChIKey: HORGQLWAZQOQNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-phenylpropan-2-yl)piperidine
• IUPAC Traditional name: 1-(2-phenylpropan-2-yl)piperidine
• Synonyms: 1-(1-Methyl-1-phenylethyl)piperidine; 1-(α,α-Dimethylbenzyl)piperidine; 2-Phenyl-2-(1-piperidinyl)propane

Database IDs

• CAS Number: 92321-29-4
• PubChem SID: 164232533
• PubChem CID: 210768

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.0029978543
• LogD (pH = 7.4): 0.85822487
• Log P: 3.4621603
• Molar Refractivity: 65.7997 cm^3
• Polarizability: 25.9313 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Colorless to Light Yellow Oil

Safety Information

• Storage Condition: Refrigerator

DETAILS

Toronto Research Chemicals - P336010

Enzyme inhibitor. A selective inactivator of CYP2B6.

REFERENCES

• Welch, R., et al.: Xenobiotica, 17, 287 (1987)
• Bjornsson, T., et al.: Drug Metab. Dispos., 31, 815 (1987)
• Harleton, E., et al.: J. Pharmacol. Exp. Ther., 310, 1011 (1987)
• Turpeinen, M., et al.: Clin. Pharmacol. Ther., 77, 553 (1987)