1-(2,5-dimethylpiperazin-1-yl)ethanone

C8H16N2O — CID 20691603

IUPAC1-(2,5-dimethylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CC(C)NCC1C
InChIInChI=1S/C8H16N2O/c1-6-5-10(8(3)11)7(2)4-9-6/h6-7,9H,4-5H2,1-3H3
InChIKeyIZFVIZORCOWLJA-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds

About 1-(2,5-dimethylpiperazin-1-yl)ethanone

1-(2,5-dimethylpiperazin-1-yl)ethanone (PubChem CID 20691603) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(2,5-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylpiperazin-1-yl)ethanone
PubChem CID20691603
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(2,5-dimethylpiperazin-1-yl)ethanone
SMILESCC(=O)N1CC(C)NCC1C
InChIInChI=1S/C8H16N2O/c1-6-5-10(8(3)11)7(2)4-9-6/h6-7,9H,4-5H2,1-3H3
InChIKeyIZFVIZORCOWLJA-UHFFFAOYSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2,5-dimethylpiperazine-1-carboxylic acid
CID 175405538
cyclopropyl-(2,5-dimethylpiperazin-1-yl)methanone
CID 64980051
1-(2,5-dimethylpiperazin-1-yl)-2-methylpent-2-en-1-one
CID 77052197
tert-butyl (2S,5R)-2,5-dimethylpiperazine-1-carboxylate
CID 11745988
3-chloro-1-[(2R)-2,5-dimethylpiperazin-1-yl]propan-1-one
CID 155448457
(2S,5R)-2,5-dimethylpiperazine-1-carbodithioic acid
CID 21115232
1-(2,5-dimethylpiperazin-1-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-one
CID 103309302
2-[(2S,5R)-2,5-dimethylpiperazin-1-yl]but-2-enediamide
CID 70403200
N-[(2S)-1-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-4,4-dimethyl-1-oxopentan-2-yl]acetamide
CID 134202421
(3,5-dihydroxyphenyl)-(2,5-dimethylpiperazin-1-yl)methanone
CID 107702962
1-(2,5-dimethylpiperazin-1-yl)pent-4-en-1-one
CID 64979472
butyl (2R,5S)-2,5-dimethylpiperazine-1-carboxylate
CID 94984334

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dimethylpiperazin-1-yl)ethanone (CID 20691603) is 1-(2,5-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethylpiperazin-1-yl)ethanone is CC(=O)N1CC(C)NCC1C.
What is the InChIKey of 1-(2,5-dimethylpiperazin-1-yl)ethanone?
The InChIKey is IZFVIZORCOWLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-5-10(8(3)11)7(2)4-9-6/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 1-(2,5-dimethylpiperazin-1-yl)ethanone?
1-(2,5-dimethylpiperazin-1-yl)ethanone has a molecular weight of 156.23 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 20691603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).