Basic information
- Standard SMILES
Br.CC[C@H]1CC[C@H]([N+](=O)[O-])[C@H](c2ccccc2)N1- InChIKey
FLEKHOOYYULDKK-QKWXXBCPSA-N- Molecular formula
- C13H19BrN2O2
- Average molar mass
- 315.21 g/mol
- Monoisotopic mass
- 314.06299
Names & identifiers
- Preferred name
- (2S,3S,6S)-6-Ethyl-3-nitro-2-phenyl-piperidine HBr salt
- IUPAC
- (2S,3S,6S)-6-ethyl-3-nitro-2-phenylpiperidine;hydrobromide
Names & synonyms
FLEKHOOYYULDKK-QKWXXBCPSA-N(2S,3S,6S)-6-Ethyl-3-nitro-2-phenyl-piperidine HBr salt
Database identifiers
- PubChem CID
- 44196331
Properties
Computed structural properties
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 259
Related reactions
2 records
Compound notes
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