1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one

C12H13F3N2O — CID 115101791

IUPAC1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
SMILESO=C1CNCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)10-4-2-1-3-9(10)8-17-6-5-16-7-11(17)18/h1-4,16H,5-8H2
InChIKeyXYRMDGQZIAZAJU-UHFFFAOYSA-N
MW258.24 g/mol
LogP1.64
Rot. Bonds2

About 1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one

1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one (PubChem CID 115101791) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
PubChem CID115101791
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
SMILESO=C1CNCCN1Cc1ccccc1C(F)(F)F
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)10-4-2-1-3-9(10)8-17-6-5-16-7-11(17)18/h1-4,16H,5-8H2
InChIKeyXYRMDGQZIAZAJU-UHFFFAOYSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
The IUPAC name of 1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one (CID 115101791) is 1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
The canonical SMILES for 1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one is O=C1CNCCN1Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
The InChIKey is XYRMDGQZIAZAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)10-4-2-1-3-9(10)8-17-6-5-16-7-11(17)18/h1-4,16H,5-8H2.
What are the key properties of 1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one has a molecular weight of 258.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 115101791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).