TFMPP   

GtoPdb Ligand ID: 115

Synonyms: 3-trifluoromethylphenylpiperazine
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 15.27
Molecular weight 230.1
XLogP 2.68
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES FC(c1cccc(c1)N1CCNCC1)(F)F
Isomeric SMILES FC(c1cccc(c1)N1CCNCC1)(F)F
InChI InChI=1S/C11H13F3N2/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16/h1-3,8,15H,4-7H2
InChI Key KKIMDKMETPPURN-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
1-[3-(Trifluoromethyl)phenyl]piperazine
Synonyms
3-trifluoromethylphenylpiperazine
Database Links
CAS Registry No. 15532-75-9 (source: Scifinder)
ChEMBL Ligand CHEMBL274866
GtoPdb PubChem SID 135651253
PubChem CID 4296
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Wikipedia Trifluoromethylphenylpiperazine