Basic information
- Standard SMILES
CC1CN(Cc2ccc(C#N)cn2)CCN1.O=C(O)C(F)(F)F- InChIKey
IYFNKZKRBSPWKJ-UHFFFAOYSA-N- Molecular formula
- C14H17F3N4O2
- Average molar mass
- 330.31 g/mol
Names & identifiers
- Preferred name
- 6-((3-methylpiperazin-1-yl)methyl)nicotinonitrile TFA salt
- IUPAC
- 6-[(3-methylpiperazin-1-yl)methyl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
Names & synonyms
6-((3-methylpiperazin-1-yl)methyl)nicotinonitrile TFA salt
Database identifiers
- PubChem CID
- 86673531
Properties
Computed structural properties
- Topological polar surface area
- 89.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 353
Related reactions
3 records
Compound notes
Loading…