1,4-dimethylpiperazine-2-carbohydrazide

• ChemBase ID: 88046
• Molecular Formular: C7H16N4O
• Molecular Mass: 172.22814
• Monoisotopic Mass: 172.13241115
• SMILES: N1(C(CN(CC1)C)C(=O)NN)C
• Canonical SMILES: CN1CCN(CC1C(=O)NN)C
• InChI: InChI=1S/C7H16N4O/c1-10-3-4-11(2)6(5-10)7(12)9-8/h6H,3-5,8H2,1-2H3,(H,9,12)
• InChIKey: JJMSAGIZUUNTQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,4-dimethylpiperazine-2-carbohydrazide
• IUPAC Traditional name: 1,4-dimethylpiperazine-2-carbohydrazide
• Synonyms: 1,4-Dimethylpiperazine-2-carbohydrazide 95%+

Database IDs

• MDL Number: MFCD00173925
• PubChem SID: 162075086
• PubChem CID: 2779178

CALCULATED PROPERTIES

• Acid pKa: 12.966847
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -4.0364976
• LogD (pH = 7.4): -2.2616327
• Log P: -1.3761897
• Molar Refractivity: 48.1744 cm^3
• Polarizability: 18.591217 Å^3
• Polar Surface Area: 61.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant