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

C11H22N2O — CID 79001578

IUPAC1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C11H22N2O/c1-9(2)7-10(14)13-6-5-12-11(3,4)8-13/h9,12H,5-8H2,1-4H3
InChIKeyUGYDAVQUEZKDFS-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds2

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

1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one (PubChem CID 79001578) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one
PubChem CID79001578
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCNC(C)(C)C1
InChIInChI=1S/C11H22N2O/c1-9(2)7-10(14)13-6-5-12-11(3,4)8-13/h9,12H,5-8H2,1-4H3
InChIKeyUGYDAVQUEZKDFS-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 139895
1-(Cyclopropylcarbonyl)piperazine
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CID 7075896
(3S,6S)-3-Isopropyl-6-methylpiperazine-2,5-dione
CID 13783106
Cyclo-L-Val-L-Val
CID 637596
1-(Piperazin-1-yl)butan-1-one
CID 10749434
2-Methyl-1-(piperazin-1-yl)propan-1-one
CID 2761409
2-methyl-N-(piperidin-3-yl)propanamide
CID 20118171
3-(Propan-2-yl)piperazin-2-one
CID 44890815
2-ethyl-N-{2-[4-(2-ethylbutanoyl)-1-piperazinyl]ethyl}butanamide
CID 832075
3-methyl-N-{2-[(3-methylbutanoyl)amino]propyl}butanamide
CID 2931090
(2S,3S)-2-amino-3-methyl-1-(piperidin-1-yl)pentan-1-one
CID 10821833

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one (CID 79001578) is 1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one is CC(C)CC(=O)N1CCNC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one?
The InChIKey is UGYDAVQUEZKDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(2)7-10(14)13-6-5-12-11(3,4)8-13/h9,12H,5-8H2,1-4H3.
What are the key properties of 1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one?
1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylpiperazin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 79001578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).