4-(diphenylmethoxy)piperidine hydrochloride

• ChemBase ID: 68852
• Molecular Formular: C18H22ClNO
• Molecular Mass: 303.82638
• Monoisotopic Mass: 303.13899201
• SMILES: N1CCC(CC1)OC(c1ccccc1)c1ccccc1.Cl
• Canonical SMILES: N1CCC(CC1)OC(c1ccccc1)c1ccccc1.Cl
• InChI: InChI=1S/C18H21NO.ClH/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)20-17-11-13-19-14-12-17;/h1-10,17-19H,11-14H2;1H
• InChIKey: HXROHDYGZFFVMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(diphenylmethoxy)piperidine hydrochloride
• IUPAC Traditional name: 4-(diphenylmethoxy)piperidine hydrochloride
• Synonyms: 4-Diphenylmethoxypiperidine hydrochloride

Database IDs

• CAS Number: 65214-86-0
• MDL Number: MFCD16660392
• PubChem SID: 162034582
• PubChem CID: 44153518

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.057089265
• LogD (pH = 7.4): 0.74554557
• Log P: 3.277021
• Molar Refractivity: 82.0643 cm^3
• Polarizability: 32.5097 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%