(NE)-4-(diphenylmethyl)-N-(pyridin-2-ylmethylidene)piperazin-1-amine

• ChemBase ID: 179818
• Molecular Formular: C23H24N4
• Molecular Mass: 356.46346
• Monoisotopic Mass: 356.20009679
• SMILES: N1(C(c2ccccc2)c2ccccc2)CCN(/N=C/c2ncccc2)CC1
• Canonical SMILES: c1ccc(cc1)C(c1ccccc1)N1CCN(CC1)/N=C/c1ccccn1
• InChI: InChI=1S/C23H24N4/c1-3-9-20(10-4-1)23(21-11-5-2-6-12-21)26-15-17-27(18-16-26)25-19-22-13-7-8-14-24-22/h1-14,19,23H,15-18H2/b25-19+
• InChIKey: ZKFVCFICTZUOGA-NCELDCMTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (NE)-4-(diphenylmethyl)-N-(pyridin-2-ylmethylidene)piperazin-1-amine
• IUPAC Traditional name: (NE)-4-(diphenylmethyl)-N-(pyridin-2-ylmethylidene)piperazin-1-amine
• Synonyms: SC-12757

Database IDs

• CAS Number: 3573-06-6
• PubChem SID: 164235728
• PubChem CID: 5726100

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3563094
• LogD (pH = 7.4): 4.007114
• Log P: 4.380408
• Molar Refractivity: 110.1959 cm^3
• Polarizability: 42.675503 Å^3
• Polar Surface Area: 31.73 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Application(s): Anticonvulsant