2-(piperidin-4-yl)acetohydrazide

• ChemBase ID: 33178
• Molecular Formular: C7H15N3O
• Molecular Mass: 157.2135
• Monoisotopic Mass: 157.12151212
• SMILES: C(=O)(NN)CC1CCNCC1
• Canonical SMILES: NNC(=O)CC1CCNCC1
• InChI: InChI=1S/C7H15N3O/c8-10-7(11)5-6-1-3-9-4-2-6/h6,9H,1-5,8H2,(H,10,11)
• InChIKey: BMNYOKDCUXZGCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(piperidin-4-yl)acetohydrazide
• IUPAC Traditional name: 2-(piperidin-4-yl)acetohydrazide
• Synonyms: 2-Piperidin-4-ylacetohydrazide

Database IDs

• MDL Number: MFCD12026776
• PubChem SID: 160996485
• PubChem CID: 25219108

CALCULATED PROPERTIES

• Acid pKa: 13.263477
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -4.258527
• LogD (pH = 7.4): -3.5903692
• Log P: -1.0345846
• Molar Refractivity: 43.9567 cm^3
• Polarizability: 17.062204 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false