piperidine-3-carbohydrazide

• ChemBase ID: 58231
• Molecular Formular: C6H13N3O
• Molecular Mass: 143.18692
• Monoisotopic Mass: 143.10586205
• SMILES: C1NCCCC1C(=O)NN
• Canonical SMILES: NNC(=O)C1CCCNC1
• InChI: InChI=1S/C6H13N3O/c7-9-6(10)5-2-1-3-8-4-5/h5,8H,1-4,7H2,(H,9,10)
• InChIKey: ZKSMSCZAWFJIIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: piperidine-3-carbohydrazide
• IUPAC Traditional name: piperidine-3-carbohydrazide
• Synonyms: Piperidine-3-carbohydrazide

Database IDs

• MDL Number: MFCD03941391
• PubChem SID: 162062994
• PubChem CID: 470888

CALCULATED PROPERTIES

• Acid pKa: 13.13604
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.2555237
• LogD (pH = 7.4): -3.2333019
• Log P: -1.0672786
• Molar Refractivity: 39.2276 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