1-[2-(2-Nitrophenyl)ethyl]piperidine
Basic information
- CAS
5339-23-1- Standard SMILES
O=[N+]([O-])c1ccccc1CCN1CCCCC1- InChIKey
MKHHHLKXRBAODK-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- 1-[2-(2-Nitrophenyl)ethyl]piperidine
- IUPAC
- 1-[2-(2-nitrophenyl)ethyl]piperidine
Names & synonyms
1-[2-(2-nitrophenyl)ethyl]piperidine5339-23-1NSC3490DTXSID10277680NSC-3490
Database identifiers
- CAS
5339-23-1- PubChem CID
- 220583
- DTXSID
DTXSID10277680
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 246
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Compound notes
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