1-(2-Methyl-2-oxiranylmethyl)-4-(4-trifluoromethylphenyl)piperazine
Basic information
- Standard SMILES
CC1(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)CO1- InChIKey
ADTYOMZANHZZQB-UHFFFAOYSA-N- Molecular formula
- C15H19F3N2O
- Average molar mass
- 300.32 g/mol
- Monoisotopic mass
- 300.14494772
Names & identifiers
- Preferred name
- 1-(2-Methyl-2-oxiranylmethyl)-4-(4-trifluoromethylphenyl)piperazine
- IUPAC
- 1-[(2-methyloxiran-2-yl)methyl]-4-[4-(trifluoromethyl)phenyl]piperazine
Names & synonyms
1-(2-methyl-2-oxiranylmethyl)-4-(4-trifluoromethylphenyl)piperazineSCHEMBL55348901-(2-methyloxiran-2-ylmethyl)-4-(4-trifluoromethylphenyl)piperazine
Database identifiers
- PubChem CID
- 23081538
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 19 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 360
Related reactions
4 records
Compound notes
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