piperidine-4-carbohydrazide

• ChemBase ID: 58228
• Molecular Formular: C6H13N3O
• Molecular Mass: 143.18692
• Monoisotopic Mass: 143.10586205
• SMILES: C1NCCC(C1)C(=O)NN
• Canonical SMILES: NNC(=O)C1CCNCC1
• InChI: InChI=1S/C6H13N3O/c7-9-6(10)5-1-3-8-4-2-5/h5,8H,1-4,7H2,(H,9,10)
• InChIKey: ARKTVCBOWGYYFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-4-carbohydrazide
• IUPAC Traditional name: piperidine-4-carbohydrazide
• Synonyms: Piperidine-4-carbohydrazide

Database IDs

• MDL Number: MFCD01245724
• PubChem SID: 162062991
• PubChem CID: 456704

CALCULATED PROPERTIES

• Acid pKa: 13.152838
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.4516625
• LogD (pH = 7.4): -3.8646
• Log P: -1.2231861
• Molar Refractivity: 39.3816 cm^3
• Polarizability: 15.226019 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false