2-[2-(pyridin-3-yl)piperidin-1-yl]acetohydrazide

• ChemBase ID: 189094
• Molecular Formular: C12H18N4O
• Molecular Mass: 234.29752
• Monoisotopic Mass: 234.14806122
• SMILES: N1(C(c2cnccc2)CCCC1)CC(=O)NN
• Canonical SMILES: NNC(=O)CN1CCCCC1c1cccnc1
• InChI: InChI=1S/C12H18N4O/c13-15-12(17)9-16-7-2-1-5-11(16)10-4-3-6-14-8-10/h3-4,6,8,11H,1-2,5,7,9,13H2,(H,15,17)
• InChIKey: AXCHOLYWQTZDPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(pyridin-3-yl)piperidin-1-yl]acetohydrazide
• IUPAC Traditional name: 2-[2-(pyridin-3-yl)piperidin-1-yl]acetohydrazide

Database IDs

• PubChem SID: 164245004
• PubChem CID: 4309997

CALCULATED PROPERTIES

• Acid pKa: 12.486016
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.707892
• LogD (pH = 7.4): -0.22593561
• Log P: -0.018331641
• Molar Refractivity: 66.6469 cm^3
• Polarizability: 25.748438 Å^3
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Conformers
• Classification: Rare Derivatives of Natural Compounds