3-[4-(diphenylmethyl)piperazin-1-yl]propanehydrazide

• ChemBase ID: 24409
• Molecular Formular: C20H26N4O
• Molecular Mass: 338.44664
• Monoisotopic Mass: 338.21066147
• SMILES: N1(C(c2ccccc2)c2ccccc2)CCN(CCC(=O)NN)CC1
• Canonical SMILES: NNC(=O)CCN1CCN(CC1)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H26N4O/c21-22-19(25)11-12-23-13-15-24(16-14-23)20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,20H,11-16,21H2,(H,22,25)
• InChIKey: MHZCKLOUKARQDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[4-(diphenylmethyl)piperazin-1-yl]propanehydrazide
• IUPAC Traditional name: 3-[4-(diphenylmethyl)piperazin-1-yl]propanehydrazide
• Synonyms: 3-(4-Benzhydryl-1-piperazinyl)propanohydrazide; 3-(4-Benzhydryl-piperazin-1-yl)-propionic acid hydrazide

Database IDs

• MDL Number: MFCD03965256
• PubChem SID: 160987716
• PubChem CID: 2385988

CALCULATED PROPERTIES

• Acid pKa: 12.750094
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.7822298
• LogD (pH = 7.4): 0.95731074
• Log P: 2.1575801
• Molar Refractivity: 102.0239 cm^3
• Polarizability: 39.633022 Å^3
• Polar Surface Area: 61.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.561

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%