2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone

C9H19N3O — CID 79001882

IUPAC2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
SMILESCC1CNCCN1C(=O)CN(C)C
InChIInChI=1S/C9H19N3O/c1-8-6-10-4-5-12(8)9(13)7-11(2)3/h8,10H,4-7H2,1-3H3
InChIKeyAWPMCYBSXNATIJ-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.63
Rot. Bonds2

About 2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone

2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone (PubChem CID 79001882) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
PubChem CID79001882
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone
SMILESCC1CNCCN1C(=O)CN(C)C
InChIInChI=1S/C9H19N3O/c1-8-6-10-4-5-12(8)9(13)7-11(2)3/h8,10H,4-7H2,1-3H3
InChIKeyAWPMCYBSXNATIJ-UHFFFAOYSA-N
XLogP-0.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpiperazin-1-yl)-2-[methyl(propan-2-yl)amino]ethanone
CID 119470224
3-(dimethylamino)-1-[(2S)-2-methylpiperazin-1-yl]propan-1-one
CID 82755732
1-(2-methylpiperazin-1-yl)propan-1-one
CID 10820824
3,4-dimethyl-1-(2-methylpiperazin-1-yl)pentan-1-one
CID 119473625
[2-[(2R)-2-methylpiperazin-1-yl]-2-oxoethyl] acetate
CID 146597799
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
5,5-dimethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 115273038
2-ethylsulfonyl-1-(2-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119472127
3,3,3-trifluoro-1-(2-methylpiperazin-1-yl)propan-1-one;hydrochloride
CID 119471832
3-amino-1-(2-methylpiperazin-1-yl)butan-1-one
CID 128919979
2-(2-methoxyethoxy)-1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 103866742

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone (CID 79001882) is 2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone is CC1CNCCN1C(=O)CN(C)C.
What is the InChIKey of 2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone?
The InChIKey is AWPMCYBSXNATIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-8-6-10-4-5-12(8)9(13)7-11(2)3/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone?
2-(dimethylamino)-1-(2-methylpiperazin-1-yl)ethanone has a molecular weight of 185.27 g/mol, XLogP of -0.63, 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-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 79001882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).