diphenyl(piperidin-2-yl)methanol hydrochloride

• ChemBase ID: 176474
• Molecular Formular: C18H22ClNO
• Molecular Mass: 303.82638
• Monoisotopic Mass: 303.13899201
• SMILES: c1cccc(c1)C(c1ccccc1)(O)C1CCCCN1.Cl
• Canonical SMILES: OC(c1ccccc1)(c1ccccc1)C1CCCCN1.Cl
• InChI: InChI=1S/C18H21NO.ClH/c20-18(15-9-3-1-4-10-15,16-11-5-2-6-12-16)17-13-7-8-14-19-17;/h1-6,9-12,17,19-20H,7-8,13-14H2;1H
• InChIKey: KIFIYUHFHGSNHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diphenyl(piperidin-2-yl)methanol hydrochloride
• IUPAC Traditional name: pipradrol hydrochloride
• Synonyms: α,α-Diphenyl-2-piperidinemethanol Hydrochloride; α-Pipradol; Gerodyl; MRD 108; Pipralon; α-(2-Piperidyl)benzhydrol Hydrochloride; Meratran; Piridrol; Pyridrol; Pyridrole; Pipradrol Hydrochloride

Database IDs

• CAS Number: 71-78-3
• PubChem SID: 164232384
• PubChem CID: 66008

CALCULATED PROPERTIES

• Acid pKa: 12.8808
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.14346908
• LogD (pH = 7.4): 1.2137865
• Log P: 3.3209152
• Molar Refractivity: 81.7839 cm^3
• Polarizability: 32.432354 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol
• Apperance: White Solid
• Melting Point: 298-300°C

Safety Information

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

DETAILS

Toronto Research Chemicals - P500350

Controlled substance (stimulant). CNS stimulant.

REFERENCES

• Rivier, L., et al.: Anal. Chim. Acta, 492, 69 (2003)
• Politi, L., et al.: J. Anal. Toxicol., 29, 1 (2003)