Basic information
- CAS
193357-54-9- Standard SMILES
O=[N+]([O-])c1ccccc1CC1CCNCC1- InChIKey
LROQBHKTSYTVSP-UHFFFAOYSA-N- Molecular formula
- C12H16N2O2
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.12117776
Names & identifiers
- Preferred name
- 4-[(2-Nitrophenyl)methyl]piperidine
- IUPAC
- 4-[(2-nitrophenyl)methyl]piperidine
Names & synonyms
4-[(2-nitrophenyl)methyl]piperidine193357-54-9SCHEMBL3882522DTXSID701295336EN300-1767652
Database identifiers
- CAS
193357-54-9- PubChem CID
- 17987331
- DTXSID
DTXSID701295336
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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