1-piperazin-1-ylbutan-2-one;hydrochloride

C8H17ClN2O — CID 69258100

IUPAC1-piperazin-1-ylbutan-2-one;hydrochloride
SMILESCCC(=O)CN1CCNCC1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-2-8(11)7-10-5-3-9-4-6-10;/h9H,2-7H2,1H3;1H
InChIKeyIWKWSXHNFNBRAO-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.29
Rot. Bonds3

About 1-piperazin-1-ylbutan-2-one;hydrochloride

1-piperazin-1-ylbutan-2-one;hydrochloride (PubChem CID 69258100) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-piperazin-1-ylbutan-2-one;hydrochloride.

Molecular Properties

Compound Name1-piperazin-1-ylbutan-2-one;hydrochloride
PubChem CID69258100
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name1-piperazin-1-ylbutan-2-one;hydrochloride
SMILESCCC(=O)CN1CCNCC1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-2-8(11)7-10-5-3-9-4-6-10;/h9H,2-7H2,1H3;1H
InChIKeyIWKWSXHNFNBRAO-UHFFFAOYSA-N
XLogP0.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-piperazin-1-ylacetic acid;dihydrochloride
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1-piperazin-1-yl-3-propoxypropan-2-one
CID 116559563
ethane;2-piperazin-1-ylacetic acid
CID 143723779
3,3-dimethyl-1-piperazin-1-ylbutan-2-one;dihydrochloride
CID 43810585
2-piperazin-1-ylacetyl iodide
CID 153235141
CID 140659696
CID 140659696
1-[4-(diethylamino)piperidin-1-yl]-2-piperazin-1-ylethanone
CID 60954210
N-methyl-2-[7-[2-(methylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetamide
CID 10615193
diethyl-hydroxy-(2-piperazin-1-ylacetyl)azanium
CID 173075950
cesium 2-piperazin-1-ylacetate
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Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-ylbutan-2-one;hydrochloride?
The IUPAC name of 1-piperazin-1-ylbutan-2-one;hydrochloride (CID 69258100) is 1-piperazin-1-ylbutan-2-one;hydrochloride.
What is the SMILES notation for 1-piperazin-1-ylbutan-2-one;hydrochloride?
The canonical SMILES for 1-piperazin-1-ylbutan-2-one;hydrochloride is CCC(=O)CN1CCNCC1.Cl.
What is the InChIKey of 1-piperazin-1-ylbutan-2-one;hydrochloride?
The InChIKey is IWKWSXHNFNBRAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-2-8(11)7-10-5-3-9-4-6-10;/h9H,2-7H2,1H3;1H.
What are the key properties of 1-piperazin-1-ylbutan-2-one;hydrochloride?
1-piperazin-1-ylbutan-2-one;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-ylbutan-2-one;hydrochloride is sourced from PubChem (CID 69258100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).