2-(diphenylmethyl)piperidine hydrochloride

• ChemBase ID: 67687
• Molecular Formular: C18H22ClN
• Molecular Mass: 287.82698
• Monoisotopic Mass: 287.14407739
• SMILES: N1C(CCCC1)C(c1ccccc1)c1ccccc1.Cl
• Canonical SMILES: C1CCC(NC1)C(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C18H21N.ClH/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;1H
• InChIKey: NTADPDIPKMRRQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diphenylmethyl)piperidine hydrochloride
• IUPAC Traditional name: desoxypipradrol hydrochloride
• Synonyms: 2-Benzhydrylpiperidine hydrochloride; 2-DIPHENYLMETHYLPIPERIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 5807-81-8; 519-74-4
• MDL Number: MFCD09743875
• PubChem SID: 162033422
• PubChem CID: 52987596

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%; 95+%; 98%
• Salt Data: HCl