4-fluoro-3-methylpiperazin-2-one

C5H9FN2O — CID 144979166

IUPAC4-fluoro-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1F
InChIInChI=1S/C5H9FN2O/c1-4-5(9)7-2-3-8(4)6/h4H,2-3H2,1H3,(H,7,9)
InChIKeyTXIPGDBDWYWWJB-UHFFFAOYSA-N
MW132.14 g/mol
LogP-0.31
Rot. Bonds

About 4-fluoro-3-methylpiperazin-2-one

4-fluoro-3-methylpiperazin-2-one (PubChem CID 144979166) has the molecular formula C5H9FN2O and a molecular weight of 132.14 g/mol. Its IUPAC name is 4-fluoro-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-fluoro-3-methylpiperazin-2-one
PubChem CID144979166
Molecular FormulaC5H9FN2O
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name4-fluoro-3-methylpiperazin-2-one
SMILESCC1C(=O)NCCN1F
InChIInChI=1S/C5H9FN2O/c1-4-5(9)7-2-3-8(4)6/h4H,2-3H2,1H3,(H,7,9)
InChIKeyTXIPGDBDWYWWJB-UHFFFAOYSA-N
XLogP-0.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methylpiperazin-2-one?
The IUPAC name of 4-fluoro-3-methylpiperazin-2-one (CID 144979166) is 4-fluoro-3-methylpiperazin-2-one.
What is the SMILES notation for 4-fluoro-3-methylpiperazin-2-one?
The canonical SMILES for 4-fluoro-3-methylpiperazin-2-one is CC1C(=O)NCCN1F.
What is the InChIKey of 4-fluoro-3-methylpiperazin-2-one?
The InChIKey is TXIPGDBDWYWWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FN2O/c1-4-5(9)7-2-3-8(4)6/h4H,2-3H2,1H3,(H,7,9).
What are the key properties of 4-fluoro-3-methylpiperazin-2-one?
4-fluoro-3-methylpiperazin-2-one has a molecular weight of 132.14 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methylpiperazin-2-one is sourced from PubChem (CID 144979166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).