Basic information
- CAS
61015-38-1- Standard SMILES
C[N+]1(CCC#N)CCN(c2cccc(C(F)(F)F)c2)CC1.[I-]- InChIKey
SNOYUEOTEUNPOJ-UHFFFAOYSA-M- Molecular formula
- C15H19F3IN3
- Average molar mass
- 425.23 g/mol
- Monoisotopic mass
- 425.05758
Names & identifiers
- Preferred name
- Piperazinium, 1-(2-cyanoethyl)-1-methyl-4-(3-(trifluoromethyl)phenyl)-, iodide
- IUPAC
- 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile iodide
Names & synonyms
1-(2-Cyanoethyl)-1-methyl-4-(3-(trifluoromethyl)phenyl)piperazinium iodide61015-38-1Piperazinium, 1-(2-cyanoethyl)-1-methyl-4-(3-(trifluoromethyl)phenyl)-, iodideRefChem:372744DTXSID309765021-(2-Cyanoethyl)-1-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium iodide
Database identifiers
- CAS
61015-38-1- PubChem CID
- 3045654
- DTXSID
DTXSID30976502
Properties
Computed structural properties
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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