Completing data — usually done within a minute
Basic information
- CAS
5339-15-1- Standard SMILES
O=[N+]([O-])c1ccc(CCN2CCCCC2)cc1- InChIKey
NYPUAPKNWBOVQV-UHFFFAOYSA-N- Molecular formula
- C13H18N2O2
- Average molar mass
- 234.29 g/mol
- Monoisotopic mass
- 234.13682782
Names & identifiers
- Preferred name
- 1-[2-(4-Nitrophenyl)ethyl]piperidine
- IUPAC
- 1-[2-(4-nitrophenyl)ethyl]piperidine
Names & synonyms
1-[2-(4-nitrophenyl)ethyl]piperidine5339-15-11-[2-(4-Nitro-phenyl)-ethyl]-piperidineNSC3479SCHEMBL3156570SCHEMBL6301656SCHEMBL11029533DTXSID20277676NYPUAPKNWBOVQV-UHFFFAOYSA-NNSC-34791-[2-(4-nitro-phenyl)ethyl]piperidineDS-021129
Database identifiers
- CAS
5339-15-1- PubChem CID
- 220573
- DTXSID
DTXSID20277676- Nikkaji
- J1.959.432G
Properties
Computed structural propertiesFilling in
- 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
- 238
Related reactions
15 records
Compound notes
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