4-(diphenylmethylidene)piperidine

• ChemBase ID: 25279
• Molecular Formular: C18H19N
• Molecular Mass: 249.35016
• Monoisotopic Mass: 249.15174961
• SMILES: C(=C1CCNCC1)(c1ccccc1)c1ccccc1
• Canonical SMILES: N1CCC(=C(c2ccccc2)c2ccccc2)CC1
• InChI: InChI=1S/C18H19N/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)17-11-13-19-14-12-17/h1-10,19H,11-14H2
• InChIKey: UNPKOFGAQOEDMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(diphenylmethylidene)piperidine
• IUPAC Traditional name: 4-(diphenylmethylidene)piperidine
• Synonyms: 4-(Diphenylmethylene)piperidine

Database IDs

• CAS Number: 50706-57-5
• MDL Number: MFCD03453112
• PubChem SID: 160988586
• PubChem CID: 2762533

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.43372568
• LogD (pH = 7.4): 1.3520527
• Log P: 3.6331985
• Molar Refractivity: 90.4827 cm^3
• Polarizability: 31.727552 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false