1-(2,6-dimethylpiperazin-1-yl)ethanone

C8H16N2O — CID 12914605

IUPAC1-(2,6-dimethylpiperazin-1-yl)ethanone
SMILESCC(=O)N1C(C)CNCC1C
InChIInChI=1S/C8H16N2O/c1-6-4-9-5-7(2)10(6)8(3)11/h6-7,9H,4-5H2,1-3H3
InChIKeyGMIYNBYIVKBBTO-UHFFFAOYSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds

About 1-(2,6-dimethylpiperazin-1-yl)ethanone

1-(2,6-dimethylpiperazin-1-yl)ethanone (PubChem CID 12914605) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperazin-1-yl)ethanone
PubChem CID12914605
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(2,6-dimethylpiperazin-1-yl)ethanone
SMILESCC(=O)N1C(C)CNCC1C
InChIInChI=1S/C8H16N2O/c1-6-4-9-5-7(2)10(6)8(3)11/h6-7,9H,4-5H2,1-3H3
InChIKeyGMIYNBYIVKBBTO-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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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,6-dimethylpiperazin-1-yl)ethanone (CID 12914605) is 1-(2,6-dimethylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperazin-1-yl)ethanone is CC(=O)N1C(C)CNCC1C.
What is the InChIKey of 1-(2,6-dimethylpiperazin-1-yl)ethanone?
The InChIKey is GMIYNBYIVKBBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6-4-9-5-7(2)10(6)8(3)11/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperazin-1-yl)ethanone?
1-(2,6-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-(2,6-dimethylpiperazin-1-yl)ethanone is sourced from PubChem (CID 12914605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).