Basic information
- CAS
7596-16-9- Standard SMILES
CC1CCN(CCC(=O)c2ccc([N+](=O)[O-])cc2)CC1- InChIKey
NLRNOTAEEZLSOQ-UHFFFAOYSA-N- Molecular formula
- C15H20N2O3
- Average molar mass
- 276.33 g/mol
- Monoisotopic mass
- 276.1473925
Names & identifiers
- Preferred name
- 3-(4-Methylpiperidin-1-yl)-1-(4-nitrophenyl)propan-1-one
- IUPAC
- 3-(4-methylpiperidin-1-yl)-1-(4-nitrophenyl)propan-1-one
Names & synonyms
7596-16-93-(4-methylpiperidin-1-yl)-1-(4-nitrophenyl)propan-1-oneNSC405672DTXSID80324079NSC-405672
Database identifiers
- CAS
7596-16-9- PubChem CID
- 347162
- DTXSID
DTXSID80324079
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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