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

• ChemBase ID: 188704
• Molecular Formular: C13H20N4O
• Molecular Mass: 248.3241
• Monoisotopic Mass: 248.16371128
• SMILES: N1(C(c2cnccc2)CCCC1)CCC(=O)NN
• Canonical SMILES: NNC(=O)CCN1CCCCC1c1cccnc1
• InChI: InChI=1S/C13H20N4O/c14-16-13(18)6-9-17-8-2-1-5-12(17)11-4-3-7-15-10-11/h3-4,7,10,12H,1-2,5-6,8-9,14H2,(H,16,18)
• InChIKey: NVBCZYSXZYBLFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164244614
• PubChem CID: 3769385

CALCULATED PROPERTIES

• Acid pKa: 12.743945
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -2.9236088
• LogD (pH = 7.4): -1.2803346
• Log P: 0.2186811
• Molar Refractivity: 71.3463 cm^3
• Polarizability: 27.589396 Å^3
• Polar Surface Area: 71.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds