2-{[2-Chloro-5-(trifluoromethyl)phenyl](piperazin-1-yl)methyl}quinoline
Basic information
- CAS
5008-26-4- Standard SMILES
FC(F)(F)c1ccc(Cl)c(C(c2ccc3ccccc3n2)N2CCNCC2)c1- InChIKey
HWLWHDIQSXUAQX-UHFFFAOYSA-N- Molecular formula
- C21H19ClF3N3
- Average molar mass
- 405.8 g/mol
- Monoisotopic mass
- 405.1219598
Names & identifiers
- Preferred name
- 2-{[2-Chloro-5-(trifluoromethyl)phenyl](piperazin-1-yl)methyl}quinoline
- IUPAC
- 2-[[2-chloro-5-(trifluoromethyl)phenyl]-piperazin-1-ylmethyl]quinoline
Names & synonyms
5008-26-4DTXSID404095582-{[2-Chloro-5-(trifluoromethyl)phenyl](piperazin-1-yl)methyl}quinoline
Database identifiers
- CAS
5008-26-4- PubChem CID
- 5201717
- DTXSID
DTXSID40409558
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 512
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…