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

HCID 18918356CAS 166953-18-0
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C1CN(c2ccncc2)CCN1
InChIKey
WCDFJPZJXVQWQQ-UHFFFAOYSA-N
Molecular formula
C9H11N3O
Average molar mass
177.2 g/mol
Monoisotopic mass
177.09021197

Names & identifiers

Preferred name
4-(Pyridin-4-YL)piperazin-2-one
IUPAC
4-pyridin-4-ylpiperazin-2-one
English name
Piperazinone, 4-(4-pyridinyl)- (9CI)
Molecular formula
C9H11N3O
Molecular weight
177.2

Names & synonyms

166953-18-04-(PYRIDIN-4-YL)PIPERAZIN-2-ONE4-pyridin-4-ylpiperazin-2-one2-Piperazinone, 4-(4-pyridinyl)-Piperazinone, 4-(4-pyridinyl)- (9CI)SCHEMBL1387820SCHEMBL73349334-(4-pyridyl)piperazin-2-one4-(4-pyridyl) piperazin-2-oneDTXSID90596467WCDFJPZJXVQWQQ-UHFFFAOYSA-NAKOS006331665
Show more names
4-(4-Pyridinyl)-2-piperazinone
DB-090425

Database identifiers

CAS
166953-18-0
PubChem CID
18918356
DTXSID
DTXSID90596467

Properties

Computed structural properties

XLogP
0.1
Topological polar surface area
45.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Boiling point
437.1 · 437.1±35.0 °C(Predicted)
Density
1.201 · 1.201±0.06 g/cm3(Predicted)
pka
14.39 · 14.39±0.20(Predicted)

Chemistry & industry

Suppliers3 total

苏州奥佰医药科技有限公司1483287082 19962651230 · [email protected]
海济医药科技（苏州）有限公司18012778619 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]

Related reactions

9 records
New reaction record

Linked notes

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