Basic information
- CAS
93040-64-3- Standard SMILES
CN1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)CC1- InChIKey
XYYRRZQADSBLMU-AATRIKPKSA-N- Molecular formula
- C15H17F3N2O
- Average molar mass
- 298.3 g/mol
- Monoisotopic mass
- 298.12929766
Names & identifiers
- Preferred name
- Piperazine, 4-methyl-1-(m-(trifluoromethyl)cinnamoyl)-
- IUPAC
- (E)-1-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
Names & synonyms
Piperazine, 4-methyl-1-(m-(trifluoromethyl)cinnamoyl)-93040-64-3RefChem:1096062BRN 65204494-Methyl-1-(m-(trifluoromethyl)cinnamoyl)piperazineCHEMBL322942
Database identifiers
- CAS
93040-64-3- PubChem CID
- 6366203
- ChEMBL
CHEMBL322942
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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