1-tert-butyl-4,4-diphenylpiperidine

• ChemBase ID: 63634
• Molecular Formular: C21H27N
• Molecular Mass: 293.44578
• Monoisotopic Mass: 293.21434987
• SMILES: C1(CCN(C(C)(C)C)CC1)(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(N1CCC(CC1)(c1ccccc1)c1ccccc1)(C)C
• InChI: InChI=1S/C21H27N/c1-20(2,3)22-16-14-21(15-17-22,18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13H,14-17H2,1-3H3
• InChIKey: QIHLUZAFSSMXHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-tert-butyl-4,4-diphenylpiperidine
• IUPAC Traditional name: budipine
• Synonyms: 1-tert-Butyl-4,4-diphenyl-piperidine

Database IDs

• CAS Number: 57982-78-2
• MDL Number: MFCD00866585
• PubChem SID: 162029373
• PubChem CID: 68778

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.4906559
• LogD (pH = 7.4): 2.4125967
• Log P: 4.9491696
• Molar Refractivity: 105.6438 cm^3
• Polarizability: 37.34141 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%