Basic information
- Standard SMILES
CN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1- InChIKey
NUGPANNXKFKGAI-UHFFFAOYSA-N- Molecular formula
- C12H14N4O5
- Average molar mass
- 294.26 g/mol
- Monoisotopic mass
- 294.09641956
Names & identifiers
- Preferred name
- (2,4-Dinitrophenyl)(4-methylpiperazin-1-yl)methanone
- IUPAC
- (2,4-dinitrophenyl)-(4-methylpiperazin-1-yl)methanone
Names & synonyms
(2,4-dinitrophenyl)(4-methylpiperazin-1-yl)methanoneSCHEMBL10519748NUGPANNXKFKGAI-UHFFFAOYSA-NSTK181925AKOS0038522901-{2,4-dinitrobenzoyl}-4-methylpiperazineN1 -methyl-N4 -(2,4-dinitrobenzoyl)piperazineAG-670/09239013N1 -methyl-N4 -(2,4-dinitrobenzoyl)- piperazine
Database identifiers
- PubChem CID
- 4090619
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Related reactions
4 records
Compound notes
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