2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone

C10H21N3O — CID 79001733

IUPAC2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone
SMILESCN(C)CC(=O)N1CCNCC1(C)C
InChIInChI=1S/C10H21N3O/c1-10(2)8-11-5-6-13(10)9(14)7-12(3)4/h11H,5-8H2,1-4H3
InChIKeyQUKRBBRRNVGVHZ-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.24
Rot. Bonds2

About 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone

2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone (PubChem CID 79001733) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone
PubChem CID79001733
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone
SMILESCN(C)CC(=O)N1CCNCC1(C)C
InChIInChI=1S/C10H21N3O/c1-10(2)8-11-5-6-13(10)9(14)7-12(3)4/h11H,5-8H2,1-4H3
InChIKeyQUKRBBRRNVGVHZ-UHFFFAOYSA-N
XLogP-0.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyl-1-(2,2-dimethylpiperazin-1-yl)ethanone
CID 65463150
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 65460524
1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 65461132
1-(2,2-dimethylpiperazin-1-yl)-3-(1-methylpiperidin-4-yl)propan-1-one
CID 115273158
3-methylpentan-3-yl 2,2-dimethylpiperazine-1-carboxylate
CID 141044506
tert-butyl 2,2-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71607196
1-(2,2-dimethylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 65460937
1-(2,2-dimethylpiperazin-1-yl)-2-(5-methylfuran-2-yl)ethanone
CID 115273139
1-(2,2-dimethylpiperazin-1-yl)-2-fluoro-2-methylpropan-1-one
CID 130562045
azepan-1-yl-(2,2-dimethylpiperazin-1-yl)methanone
CID 79152217
2,2-dimethyl-N-propylpiperazine-1-carboxamide
CID 65460942

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone (CID 79001733) is 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone is CN(C)CC(=O)N1CCNCC1(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone?
The InChIKey is QUKRBBRRNVGVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-10(2)8-11-5-6-13(10)9(14)7-12(3)4/h11H,5-8H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone?
2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone has a molecular weight of 199.30 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2,2-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 79001733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).