2-(piperidin-1-yl)acetohydrazide

• ChemBase ID: 71678
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: C1CCCN(C1)CC(=O)NN
• Canonical SMILES: NNC(=O)CN1CCCCC1
• InChI: InChI=1S/C7H15N3O/c8-9-7(11)6-10-4-2-1-3-5-10/h1-6,8H2,(H,9,11)
• InChIKey: RPFBMWXGJRIJOJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-1-yl)acetohydrazide
• IUPAC Traditional name: 2-(piperidin-1-yl)acetohydrazide
• Synonyms: 2-Piperidin-1-ylacetohydrazide; 2-(1-piperidinyl)acetohydrazide

Database IDs

• CAS Number: 7408-09-5
• MDL Number: MFCD02269933
• PubChem SID: 162037131
• PubChem CID: 6421769

CALCULATED PROPERTIES

• Acid pKa: 13.061391
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.0098872
• LogD (pH = 7.4): -1.2511877
• Log P: -0.5848994
• Molar Refractivity: 44.521 cm^3
• Polarizability: 17.062204 Å^3
• Polar Surface Area: 58.36 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT