1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one

C12H15FN2O — CID 24716104

IUPAC1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(F)c(N2CCNC(C)C2=O)c1
InChIInChI=1S/C12H15FN2O/c1-8-3-4-10(13)11(7-8)15-6-5-14-9(2)12(15)16/h3-4,7,9,14H,5-6H2,1-2H3
InChIKeyDKBZAZUEVYMWHU-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.46
Rot. Bonds1

About 1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one

1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one (PubChem CID 24716104) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
PubChem CID24716104
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
SMILESCc1ccc(F)c(N2CCNC(C)C2=O)c1
InChIInChI=1S/C12H15FN2O/c1-8-3-4-10(13)11(7-8)15-6-5-14-9(2)12(15)16/h3-4,7,9,14H,5-6H2,1-2H3
InChIKeyDKBZAZUEVYMWHU-UHFFFAOYSA-N
XLogP1.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-acetyl-1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one
CID 24715869
ethane;1-(2-fluoro-5-methylphenyl)-1,3-diazinane-2,4-dione
CID 167474708
1-(2-fluoro-5-methylphenyl)-3,6-dimethylpiperazine-2,5-dione
CID 64960007
3-tert-butyl-1-(2-fluoro-5-methylphenyl)piperazine-2,5-dione
CID 64959864
1-(2-fluoro-5-methylphenyl)-4-methyl-1,5-diazocane
CID 55031715
1-(2-fluoro-5-methylphenyl)-3,3-dimethylpiperazine-2,5-dione
CID 64960006
4-(2-fluoro-5-methylphenyl)-2-methyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 42847448
(3S)-1-(2-fluoro-5-methylphenyl)-3-methyl-4-(thiophene-2-carbonyl)piperazin-2-one
CID 93292476
1-(2-fluoro-5-methylphenyl)-3-propylpiperazine-2,5-dione
CID 64959948
(3R)-1-(2-fluoro-5-methylphenyl)sulfonyl-3-methylpiperazine
CID 104975157
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperazin-2-one
CID 26365979
1-(2-fluoro-5-methylphenyl)-3-[3-(methylamino)piperidin-1-yl]piperidin-2-one
CID 119919252

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one (CID 24716104) is 1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one is Cc1ccc(F)c(N2CCNC(C)C2=O)c1.
What is the InChIKey of 1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one?
The InChIKey is DKBZAZUEVYMWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-8-3-4-10(13)11(7-8)15-6-5-14-9(2)12(15)16/h3-4,7,9,14H,5-6H2,1-2H3.
What are the key properties of 1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one?
1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one has a molecular weight of 222.26 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 24716104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).