Basic information
- Standard SMILES
COc1ccc(CN2CCN(C)CC2)c([N+](=O)[O-])c1- InChIKey
NJFVBTRCPUMWQC-UHFFFAOYSA-N- Molecular formula
- C13H19N3O3
- Average molar mass
- 265.31 g/mol
Names & identifiers
- Preferred name
- 1-(4-Methoxy-2-nitrobenzyl)-4-methylpiperazine
- IUPAC
- 1-[(4-methoxy-2-nitrophenyl)methyl]-4-methylpiperazine
Names & synonyms
1-(4-methoxy-2-nitrobenzyl)-4-methylpiperazineSCHEMBL3584454NJFVBTRCPUMWQC-UHFFFAOYSA-NDB-1319071050513-56-8
Database identifiers
- PubChem CID
- 59353049
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 300
Related reactions
4 records
Compound notes
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