2-[4-(diphenylmethyl)piperazine-1-carbonyl]aniline

• ChemBase ID: 21576
• Molecular Formular: C24H25N3O
• Molecular Mass: 371.4748
• Monoisotopic Mass: 371.19976244
• SMILES: C(=O)(c1c(N)cccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
• Canonical SMILES: Nc1ccccc1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H25N3O/c25-22-14-8-7-13-21(22)24(28)27-17-15-26(16-18-27)23(19-9-3-1-4-10-19)20-11-5-2-6-12-20/h1-14,23H,15-18,25H2
• InChIKey: QJMQDOIETQJCNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(diphenylmethyl)piperazine-1-carbonyl]aniline
• IUPAC Traditional name: 2-[4-(diphenylmethyl)piperazine-1-carbonyl]aniline
• Synonyms: (2-Aminophenyl)(4-benzhydryl-1-piperazinyl)-methanone

Database IDs

• MDL Number: MFCD03015416
• PubChem SID: 160984883
• PubChem CID: 1306625

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.8997338
• LogD (pH = 7.4): 4.2908077
• Log P: 4.4481454
• Molar Refractivity: 114.5757 cm^3
• Polarizability: 43.527966 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false