Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(OCCN2CCCCC2)cc1F- InChIKey
TXQCZUJQSLBRAP-UHFFFAOYSA-N- Molecular formula
- C13H17FN2O3
- Average molar mass
- 268.28 g/mol
- Monoisotopic mass
- 268.12232057
Names & identifiers
- Preferred name
- 1-(2-(3-Fluoro-4-nitrophenoxy)ethyl)piperidine
- IUPAC
- 1-[2-(3-fluoro-4-nitrophenoxy)ethyl]piperidine
Names & synonyms
SCHEMBL571755TXQCZUJQSLBRAP-UHFFFAOYSA-NAKOS0174525151-(2-(3-Fluoro-4-nitrophenoxy)ethyl)piperidine
Database identifiers
- PubChem CID
- 66728447
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 292
Related reactions
2 records
Compound notes
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