Basic information
- CAS
854044-31-8- Standard SMILES
COc1ccc([N+](=O)[O-])c(N2CCCCC2)c1- InChIKey
XSCJWKMUFWTKLZ-UHFFFAOYSA-N- Molecular formula
- C12H16N2O3
- Average molar mass
- 236.27 g/mol
- Monoisotopic mass
- 236.11609237
Names & identifiers
- Preferred name
- 1-(5-Methoxy-2-nitro-phenyl)-piperidine
- IUPAC
- 1-(5-methoxy-2-nitrophenyl)piperidine
Names & synonyms
SCHEMBL5098517XSCJWKMUFWTKLZ-UHFFFAOYSA-NDTXSID7012753461-(5-methoxy-2-nitrophenyl)piperidine1-(5-Methoxy-2-nitro-phenyl)-piperidinePiperidine, 1-(5-methoxy-2-nitrophenyl)-854044-31-8
Database identifiers
- CAS
854044-31-8- PubChem CID
- 69310428
- DTXSID
DTXSID701275346
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 261
Related reactions
4 records
Compound notes
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