1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one

C11H22N2O — CID 79659387

IUPAC1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1CN(C)CCN1C
InChIInChI=1S/C11H22N2O/c1-9(2)7-11(14)10-8-12(3)5-6-13(10)4/h9-10H,5-8H2,1-4H3
InChIKeyNCXUBQTXQBQXNL-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds3

About 1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one

1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one (PubChem CID 79659387) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one
PubChem CID79659387
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)C1CN(C)CCN1C
InChIInChI=1S/C11H22N2O/c1-9(2)7-11(14)10-8-12(3)5-6-13(10)4/h9-10H,5-8H2,1-4H3
InChIKeyNCXUBQTXQBQXNL-UHFFFAOYSA-N
XLogP0.85
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-3-methylsulfonylpropan-1-one
CID 79658884
1-(1,4-dimethylpiperazin-2-yl)undecan-1-one
CID 79659640
2-(2-bicyclo[2.2.1]heptanyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
CID 79658810
1-(1,4-dimethylpiperazin-2-yl)-3-phenylpropan-1-one
CID 79659303
1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone
CID 79824120
2-(5-bromo-3-pyridinyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
CID 113454523
2-(3,4-dichlorophenyl)-1-(1,4-dimethylpiperazin-2-yl)ethanone
CID 79658392
(1,4-dimethylpiperazin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone
CID 58469068
1-(1,4-dimethylpiperazin-2-yl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744941
1-(1,4-dimethylpiperazin-2-yl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanone
CID 79659230
1-(1,4-dimethylpiperazin-2-yl)-3-methylpentan-2-one
CID 115414648
3-methyl-1-(1-phenylpyrrolidin-2-yl)butan-1-one
CID 132966507

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one (CID 79659387) is 1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one is CC(C)CC(=O)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one?
The InChIKey is NCXUBQTXQBQXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)7-11(14)10-8-12(3)5-6-13(10)4/h9-10H,5-8H2,1-4H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one?
1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one has a molecular weight of 198.31 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-3-methylbutan-1-one is sourced from PubChem (CID 79659387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).