1-(5-Nitropyridin-2-yl)-4-phenylpiperazine
Basic information
- CAS
400088-76-8- Standard SMILES
O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)nc1- InChIKey
TWDYOWBTLDZFJA-UHFFFAOYSA-N- Molecular formula
- C15H16N4O2
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.12732577
Names & identifiers
- Preferred name
- 1-(5-Nitropyridin-2-yl)-4-phenylpiperazine
- IUPAC
- 1-(5-nitro-2-pyridinyl)-4-phenylpiperazine
Names & synonyms
1-(5-nitropyridin-2-yl)-4-phenylpiperazine400088-76-81-(5-nitro-2-pyridinyl)-4-phenylpiperazineMFCD01308982Cambridge id 5487454Oprea1_289760MLS001165701CHEMBL1564701SCHEMBL22465858DTXSID301320105HMS2864A10AKOS002386395
Show more names
9G-319SSMR000550515DB-4207801-(5-nitro(2-pyridyl))-4-phenylpiperazine1-(5-nitro-2-pyridyl)-4-phenyl-piperazineCS-0363649ST50484946AB00086847-01
Database identifiers
- CAS
400088-76-8- PubChem CID
- 2848979
- DTXSID
DTXSID301320105- ChEMBL
CHEMBL1564701
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Experimental & physicochemical properties
Solubility0.6 [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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