1-(1,4-dimethylpiperazin-2-yl)ethanone

C8H16N2O — CID 20602964

IUPAC1-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCC(=O)C1CN(C)CCN1C
InChIInChI=1S/C8H16N2O/c1-7(11)8-6-9(2)4-5-10(8)3/h8H,4-6H2,1-3H3
InChIKeyOVUPHWFDBFNPKJ-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.18
Rot. Bonds1

About 1-(1,4-dimethylpiperazin-2-yl)ethanone

1-(1,4-dimethylpiperazin-2-yl)ethanone (PubChem CID 20602964) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)ethanone
PubChem CID20602964
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)ethanone
SMILESCC(=O)C1CN(C)CCN1C
InChIInChI=1S/C8H16N2O/c1-7(11)8-6-9(2)4-5-10(8)3/h8H,4-6H2,1-3H3
InChIKeyOVUPHWFDBFNPKJ-UHFFFAOYSA-N
XLogP-0.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)ethanone?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)ethanone (CID 20602964) is 1-(1,4-dimethylpiperazin-2-yl)ethanone.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)ethanone?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)ethanone is CC(=O)C1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)ethanone?
The InChIKey is OVUPHWFDBFNPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(11)8-6-9(2)4-5-10(8)3/h8H,4-6H2,1-3H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)ethanone?
1-(1,4-dimethylpiperazin-2-yl)ethanone has a molecular weight of 156.23 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)ethanone is sourced from PubChem (CID 20602964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).