1-methylpiperidine-4-carbohydrazide

• ChemBase ID: 72266
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: C(=O)(C1CCN(CC1)C)NN
• Canonical SMILES: NNC(=O)C1CCN(CC1)C
• InChI: InChI=1S/C7H15N3O/c1-10-4-2-6(3-5-10)7(11)9-8/h6H,2-5,8H2,1H3,(H,9,11)
• InChIKey: YZQKKXPYOIDSJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylpiperidine-4-carbohydrazide
• IUPAC Traditional name: 1-methylpiperidine-4-carbohydrazide
• Synonyms: 1-Methylpiperidine-4-carbohydrazide; 1-methyl-4-piperidinecarbohydrazide

Database IDs

• CAS Number: 176178-88-4
• MDL Number: MFCD13188558
• PubChem SID: 162037347
• PubChem CID: 468608

CALCULATED PROPERTIES

• Acid pKa: 13.220105
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9739056
• LogD (pH = 7.4): -2.3250268
• Log P: -0.8401382
• Molar Refractivity: 44.6763 cm^3
• Polarizability: 17.062204 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT