1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride

C11H19Cl2N3O — CID 12704872

IUPAC1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride
SMILESCl.Cl.O=c1ccccn1CCN1CCNCC1
InChIInChI=1S/C11H17N3O.2ClH/c15-11-3-1-2-6-14(11)10-9-13-7-4-12-5-8-13;;/h1-3,6,12H,4-5,7-10H2;2*1H
InChIKeyIQUCFKKDJFRDBE-UHFFFAOYSA-N
MW280.20 g/mol
LogP0.60
Rot. Bonds3

About 1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride

1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride (PubChem CID 12704872) has the molecular formula C11H19Cl2N3O and a molecular weight of 280.20 g/mol. Its IUPAC name is 1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride.

Molecular Properties

Compound Name1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride
PubChem CID12704872
Molecular FormulaC11H19Cl2N3O
Molecular Weight280.20 g/mol
Exact Mass279.09
IUPAC Name1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride
SMILESCl.Cl.O=c1ccccn1CCN1CCNCC1
InChIInChI=1S/C11H17N3O.2ClH/c15-11-3-1-2-6-14(11)10-9-13-7-4-12-5-8-13;;/h1-3,6,12H,4-5,7-10H2;2*1H
InChIKeyIQUCFKKDJFRDBE-UHFFFAOYSA-N
XLogP0.60
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride?
The IUPAC name of 1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride (CID 12704872) is 1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride.
What is the SMILES notation for 1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride?
The canonical SMILES for 1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride is Cl.Cl.O=c1ccccn1CCN1CCNCC1.
What is the InChIKey of 1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride?
The InChIKey is IQUCFKKDJFRDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.2ClH/c15-11-3-1-2-6-14(11)10-9-13-7-4-12-5-8-13;;/h1-3,6,12H,4-5,7-10H2;2*1H.
What are the key properties of 1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride?
1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride has a molecular weight of 280.20 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperazin-1-ylethyl)pyridin-2-one;dihydrochloride is sourced from PubChem (CID 12704872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).