5,5-dimethylpiperazin-2-one

C6H12N2O — CID 23319655

IUPAC5,5-dimethylpiperazin-2-one
SMILESCC1(C)CNC(=O)CN1
InChIInChI=1S/C6H12N2O/c1-6(2)4-7-5(9)3-8-6/h8H,3-4H2,1-2H3,(H,7,9)
InChIKeyPXOYURQBVLPPOI-UHFFFAOYSA-N
MW128.18 g/mol
LogP-0.52
Rot. Bonds

About 5,5-dimethylpiperazin-2-one

5,5-dimethylpiperazin-2-one (PubChem CID 23319655) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is 5,5-dimethylpiperazin-2-one.

Molecular Properties

Compound Name5,5-dimethylpiperazin-2-one
PubChem CID23319655
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name5,5-dimethylpiperazin-2-one
SMILESCC1(C)CNC(=O)CN1
InChIInChI=1S/C6H12N2O/c1-6(2)4-7-5(9)3-8-6/h8H,3-4H2,1-2H3,(H,7,9)
InChIKeyPXOYURQBVLPPOI-UHFFFAOYSA-N
XLogP-0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylpiperazin-2-one?
The IUPAC name of 5,5-dimethylpiperazin-2-one (CID 23319655) is 5,5-dimethylpiperazin-2-one.
What is the SMILES notation for 5,5-dimethylpiperazin-2-one?
The canonical SMILES for 5,5-dimethylpiperazin-2-one is CC1(C)CNC(=O)CN1.
What is the InChIKey of 5,5-dimethylpiperazin-2-one?
The InChIKey is PXOYURQBVLPPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-6(2)4-7-5(9)3-8-6/h8H,3-4H2,1-2H3,(H,7,9).
What are the key properties of 5,5-dimethylpiperazin-2-one?
5,5-dimethylpiperazin-2-one has a molecular weight of 128.18 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylpiperazin-2-one is sourced from PubChem (CID 23319655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).