1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one

C11H22N4O2 — CID 90079623

IUPAC1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one
SMILESCN1CCN(C)C(=O)C1.CN1CCNC(=O)C1
InChIInChI=1S/C6H12N2O.C5H10N2O/c1-7-3-4-8(2)6(9)5-7;1-7-3-2-6-5(8)4-7/h3-5H2,1-2H3;2-4H2,1H3,(H,6,8)
InChIKeyIXWLMNALYOCKNR-UHFFFAOYSA-N
MW242.32 g/mol
LogP-1.56
Rot. Bonds

About 1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one

1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one (PubChem CID 90079623) has the molecular formula C11H22N4O2 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one.

Molecular Properties

Compound Name1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one
PubChem CID90079623
Molecular FormulaC11H22N4O2
Molecular Weight242.32 g/mol
Exact Mass242.17
IUPAC Name1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one
SMILESCN1CCN(C)C(=O)C1.CN1CCNC(=O)C1
InChIInChI=1S/C6H12N2O.C5H10N2O/c1-7-3-4-8(2)6(9)5-7;1-7-3-2-6-5(8)4-7/h3-5H2,1-2H3;2-4H2,1H3,(H,6,8)
InChIKeyIXWLMNALYOCKNR-UHFFFAOYSA-N
XLogP-1.56
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 5-1.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one?
The IUPAC name of 1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one (CID 90079623) is 1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one.
What is the SMILES notation for 1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one?
The canonical SMILES for 1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one is CN1CCN(C)C(=O)C1.CN1CCNC(=O)C1.
What is the InChIKey of 1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one?
The InChIKey is IXWLMNALYOCKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C5H10N2O/c1-7-3-4-8(2)6(9)5-7;1-7-3-2-6-5(8)4-7/h3-5H2,1-2H3;2-4H2,1H3,(H,6,8).
What are the key properties of 1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one?
1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one has a molecular weight of 242.32 g/mol, XLogP of -1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperazin-2-one;4-methylpiperazin-2-one is sourced from PubChem (CID 90079623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).