Basic information
- CAS
346729-51-9- Standard SMILES
Cc1ccc(N2CCNCC2)cc1[N+](=O)[O-]- InChIKey
MWSJNAFFWBQRPQ-UHFFFAOYSA-N- Molecular formula
- C11H15N3O2
- Average molar mass
- 221.26 g/mol
- Monoisotopic mass
- 221.11642672
Names & identifiers
- Preferred name
- 1-(4-Methyl-3-nitrophenyl)piperazine
- IUPAC
- 1-(4-methyl-3-nitrophenyl)piperazine
Names & synonyms
1-(4-methyl-3-nitrophenyl)piperazine346729-51-9SCHEMBL2921548MWSJNAFFWBQRPQ-UHFFFAOYSA-NDTXSID801289885GS1678AKOS0035876361-(4-methyl-3-nitro-phenyl)-piperazineDB-102721CS-0279696EN300-1829385
Database identifiers
- CAS
346729-51-9- PubChem CID
- 4738804
- DTXSID
DTXSID801289885
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
16 records
Compound notes
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