Basic information
- Standard SMILES
N#Cc1ccc(NC2CCNCC2)cc1C(F)(F)F- InChIKey
XKTWPVGVBLSSJQ-UHFFFAOYSA-N- Molecular formula
- C13H14F3N3
- Average molar mass
- 269.27 g/mol
Names & identifiers
- Preferred name
- N-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-amine
- IUPAC
- 4-(piperidin-4-ylamino)-2-(trifluoromethyl)benzonitrile
Names & synonyms
N-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-amine1097782-27-8SCHEMBL381677DB-1256304-(piperidin-4-ylamino)-2-(trifluoromethyl)benzonitrile4-(Piperidin-4-ylamino)-2-trifluoromethyl-benzonitrile
Database identifiers
- PubChem CID
- 43345818
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 341
Related reactions
2 records
Compound notes
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