1-(2,5-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine
Basic information
- CAS
400088-95-1- Standard SMILES
Cc1ccc(C)c(N2CCN(c3ncccc3[N+](=O)[O-])CC2)c1- InChIKey
NFFRAGZFPYNZGL-UHFFFAOYSA-N- Molecular formula
- C17H20N4O2
- Average molar mass
- 312.37 g/mol
- Monoisotopic mass
- 312.15862589
Names & identifiers
- Preferred name
- 1-(2,5-Dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine
- IUPAC
- 1-(2,5-dimethylphenyl)-4-(3-nitro-2-pyridinyl)piperazine
Names & synonyms
1-(2,5-dimethylphenyl)-4-(3-nitropyridin-2-yl)piperazine400088-95-11-(2,5-dimethylphenyl)-4-(3-nitro-2-pyridinyl)piperazineOprea1_220496MLS001165773CHEMBL1499800DTXSID301320086HMS2854F17AKOS0051050729G-408SSMR000550521
Database identifiers
- CAS
400088-95-1- PubChem CID
- 3830004
- DTXSID
DTXSID301320086- ChEMBL
CHEMBL1499800
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
Solubility1.1 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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