2-(diphenylmethyl)piperidine

• ChemBase ID: 66953
• Molecular Formular: C18H21N
• Molecular Mass: 251.36604
• Monoisotopic Mass: 251.16739968
• SMILES: N1C(CCCC1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: C1CCC(NC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C18H21N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17-19H,7-8,13-14H2
• InChIKey: RWTNXJXZVGHMGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylmethyl)piperidine
• IUPAC Traditional name: desoxypipradrol
• Synonyms: 2-Benzhydrylpiperidine; 2-(Diphenylmethyl)piperidine; (±)-Desoxypipradrol; 2-Diphenylmethylpiperidine; Ciba 14469; Deoxypipradrol; Desoxypipradrol; Desoxypipradrol

Database IDs

• CAS Number: 519-74-4
• MDL Number: MFCD02663618
• PubChem SID: 162032689
• PubChem CID: 160506

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.001279
• LogD (pH = 7.4): 1.5463163
• Log P: 4.229166
• Molar Refractivity: 80.4398 cm^3
• Polarizability: 31.800816 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%

DETAILS

Toronto Research Chemicals - D296980

A norepinephrine-dopamine reuptake inhibitor (NDRI). A highly lipophilic molecule lacking polar functional groups that are typically targeted by metabolic enzymes. Useful for application of treating attention-deficit hyperactivity disorder (ADHD) and depr

REFERENCES

• Ferris, R., et al.: J Pharmacol Exp Ther., 210, 422 (1979)
• Tripod, J., et al.: Cell. Mol. Life Sci., 10, 261 (1979)