Basic information
- Standard SMILES
Cl.Cl.N[C@H]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1- InChIKey
CPBHDOGNJYIQPI-WWPIYYJJSA-N- Molecular formula
- C12H16Cl2F3N3O2
- Average molar mass
- 362.17 g/mol
- Monoisotopic mass
- 361.0571666
Names & identifiers
- Preferred name
- (S)-1-(2-nitro-4-(trifluoromethyl)phenyl)piperidin-3-amine dihydrochloride
- IUPAC
- (3S)-1-[2-nitro-4-(trifluoromethyl)phenyl]piperidin-3-amine;dihydrochloride
Names & synonyms
(S)-1-(2-nitro-4-(trifluoromethyl)phenyl)piperidin-3-amine dihydrochlorideSCHEMBL2976033
Database identifiers
- PubChem CID
- 16109043
Properties
Computed structural properties
- Topological polar surface area
- 75.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 359
Related reactions
4 records
Compound notes
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