Basic information
- Standard SMILES
COc1cc(N2CCN(C(C)C)CC2)ccc1[N+](=O)[O-]- InChIKey
PZASQQVFJKITCK-UHFFFAOYSA-N- Molecular formula
- C14H21N3O3
- Average molar mass
- 279.33 g/mol
Names & identifiers
- Preferred name
- 1-(1-Methylethyl)-4-[3-(methyloxy)-4-nitrophenyl]piperazine
- IUPAC
- 1-(3-methoxy-4-nitrophenyl)-4-propan-2-ylpiperazine
Names & synonyms
1-(1-methylethyl)-4-[3-(methyloxy)-4-nitrophenyl]piperazine761440-36-2SCHEMBL309624PZASQQVFJKITCK-UHFFFAOYSA-NDB-3366321-(Propan-2-yl)-4-(3-methoxy-4-nitrophenyl)piperazine
Database identifiers
- PubChem CID
- 58748443
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 324
Related reactions
7 records
Compound notes
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