Basic information
- Standard SMILES
CC(=O)N1CCN(CCOc2ccc([N+](=O)[O-])cc2)CC1- InChIKey
BBNSLJNQSHCECA-UHFFFAOYSA-N- Molecular formula
- C14H19N3O4
- Average molar mass
- 293.32 g/mol
- Monoisotopic mass
- 293.1375561
Names & identifiers
- Preferred name
- 1-Acetyl-4-[2-(4-nitrophenoxy)ethyl]piperazine
- IUPAC
- 1-[4-[2-(4-nitrophenoxy)ethyl]piperazin-1-yl]ethanone
Names & synonyms
SCHEMBL9471555BBNSLJNQSHCECA-UHFFFAOYSA-N1-acetyl-4-[2-(4-nitrophenoxy)ethyl]piperazine
Database identifiers
- PubChem CID
- 19788720
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 78.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Related reactions
3 records
Compound notes
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