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

C8H16N2O — CID 23388558

IUPAC1-(5,5-dimethylpiperazin-2-yl)ethanone
SMILESCC(=O)C1CNC(C)(C)CN1
InChIInChI=1S/C8H16N2O/c1-6(11)7-4-10-8(2,3)5-9-7/h7,9-10H,4-5H2,1-3H3
InChIKeyCZRIQWXNAQUSCC-UHFFFAOYSA-N
MW156.23 g/mol
LogP-0.08
Rot. Bonds1

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

1-(5,5-dimethylpiperazin-2-yl)ethanone (PubChem CID 23388558) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(5,5-dimethylpiperazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,5-dimethylpiperazin-2-yl)ethanone
PubChem CID23388558
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(5,5-dimethylpiperazin-2-yl)ethanone
SMILESCC(=O)C1CNC(C)(C)CN1
InChIInChI=1S/C8H16N2O/c1-6(11)7-4-10-8(2,3)5-9-7/h7,9-10H,4-5H2,1-3H3
InChIKeyCZRIQWXNAQUSCC-UHFFFAOYSA-N
XLogP-0.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,5-dimethylpiperazin-2-yl)ethanone?
The IUPAC name of 1-(5,5-dimethylpiperazin-2-yl)ethanone (CID 23388558) is 1-(5,5-dimethylpiperazin-2-yl)ethanone.
What is the SMILES notation for 1-(5,5-dimethylpiperazin-2-yl)ethanone?
The canonical SMILES for 1-(5,5-dimethylpiperazin-2-yl)ethanone is CC(=O)C1CNC(C)(C)CN1.
What is the InChIKey of 1-(5,5-dimethylpiperazin-2-yl)ethanone?
The InChIKey is CZRIQWXNAQUSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(11)7-4-10-8(2,3)5-9-7/h7,9-10H,4-5H2,1-3H3.
What are the key properties of 1-(5,5-dimethylpiperazin-2-yl)ethanone?
1-(5,5-dimethylpiperazin-2-yl)ethanone has a molecular weight of 156.23 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,5-dimethylpiperazin-2-yl)ethanone is sourced from PubChem (CID 23388558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).