3-(4-benzylpiperazin-1-yl)propanehydrazide

• ChemBase ID: 230458
• Molecular Formular: C14H22N4O
• Molecular Mass: 262.35068
• Monoisotopic Mass: 262.17936134
• SMILES: N1(Cc2ccccc2)CCN(CCC(=O)NN)CC1
• Canonical SMILES: NNC(=O)CCN1CCN(CC1)Cc1ccccc1
• InChI: InChI=1S/C14H22N4O/c15-16-14(19)6-7-17-8-10-18(11-9-17)12-13-4-2-1-3-5-13/h1-5H,6-12,15H2,(H,16,19)
• InChIKey: YKWAOYLJMUZSBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-benzylpiperazin-1-yl)propanehydrazide
• IUPAC Traditional name: 3-(4-benzylpiperazin-1-yl)propanehydrazide
• Synonyms: 3-(4-Benzyl-piperazin-1-yl)-propionic acid hydrazide

Database IDs

• MDL Number: MFCD03965297
• PubChem SID: 164286368
• PubChem CID: 2049230

CALCULATED PROPERTIES

• Acid pKa: 12.971293
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.580387
• LogD (pH = 7.4): -0.84517056
• Log P: 0.3733399
• Molar Refractivity: 77.7411 cm^3
• Polarizability: 30.020138 Å^3
• Polar Surface Area: 61.6 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.213

Product Information

• Purity: 95%