2-[Piperazin-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinoline
Basic information
- CAS
5008-25-3- Standard SMILES
FC(F)(F)c1ccc(C(c2ccc3ccccc3n2)N2CCNCC2)cc1- InChIKey
SGVLXDAGBFYPFJ-UHFFFAOYSA-N- Molecular formula
- C21H20F3N3
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.16093214
Names & identifiers
- Preferred name
- 2-[Piperazin-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinoline
- IUPAC
- 2-[piperazin-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinoline
Names & synonyms
5008-25-32-[piperazin-1-yl-[4-(trifluoromethyl)phenyl]methyl]quinolineDTXSID804095572-{(Piperazin-1-yl)[4-(trifluoromethyl)phenyl]methyl}quinoline
Database identifiers
- CAS
5008-25-3- PubChem CID
- 5201714
- DTXSID
DTXSID80409557
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 470
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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