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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 18918356Generated: October 23, 2026

4-(Pyridin-4-YL)piperazin-2-one

4-PYRIDIN-4-YLPIPERAZIN-2-ONE · 4-(4-Pyridinyl)-2-piperazinone · 2-Piperazinone, 4-(4-pyridinyl)- · Piperazinone, 4-(4-pyridinyl)- (9CI)

https://huagongshe.com/en/chemical/18918356

4-(Pyridin-4-YL)piperazin-2-one molecular structure

Identifiers & Physical Properties

CAS No.166953-18-0
Molecular formulaC9H11N3O
Average molar mass177.2 g/mol
Monoisotopic mass177.09021197 g/mol
SMILESO=C1CN(c2ccncc2)CCN1
InChIKeyWCDFJPZJXVQWQQ-UHFFFAOYSA-N
PubChem CID18918356
DTXSIDDTXSID90596467

Chemical & Physical Properties

XLogP0.1
Topological polar surface area45.2
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds1
Heavy atoms13
Formal charge0
Complexity189
Boiling point437.1±35.0 °C(Predicted)
Density1.201±0.06 g/cm3(Predicted)
pKa (acidity coefficient)14.39±0.20(Predicted)