4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one

C12H13F3N2O2 — CID 31774213

IUPAC4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccc(OC(F)(F)F)cc2)CCN1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-3-1-9(2-4-10)7-17-6-5-16-11(18)8-17/h1-4H,5-8H2,(H,16,18)
InChIKeySNRBXDOFZJNORJ-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.52
Rot. Bonds3

About 4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one

4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one (PubChem CID 31774213) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
PubChem CID31774213
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one
SMILESO=C1CN(Cc2ccc(OC(F)(F)F)cc2)CCN1
InChIInChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-3-1-9(2-4-10)7-17-6-5-16-11(18)8-17/h1-4H,5-8H2,(H,16,18)
InChIKeySNRBXDOFZJNORJ-UHFFFAOYSA-N
XLogP1.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
The IUPAC name of 4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one (CID 31774213) is 4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
The canonical SMILES for 4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one is O=C1CN(Cc2ccc(OC(F)(F)F)cc2)CCN1.
What is the InChIKey of 4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
The InChIKey is SNRBXDOFZJNORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c13-12(14,15)19-10-3-1-9(2-4-10)7-17-6-5-16-11(18)8-17/h1-4H,5-8H2,(H,16,18).
What are the key properties of 4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one?
4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one has a molecular weight of 274.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 31774213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).