Basic information
- Standard SMILES
Cc1cc(OCCN2CCN(C)CC2)ccc1[N+](=O)[O-]- InChIKey
ZSFOKJYVTQSSKV-UHFFFAOYSA-N- Molecular formula
- C14H21N3O3
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.15829154
Names & identifiers
- Preferred name
- 1-Methyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]piperazine
- IUPAC
- 1-methyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]piperazine
Names & synonyms
1003805-16-01-methyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]piperazine oxalate1-methyl-4-[2-(3-methyl-4-nitrophenoxy)ethyl]piperazineSCHEMBL10176157ZSFOKJYVTQSSKV-UHFFFAOYSA-NDB-089376
Database identifiers
- PubChem CID
- 802997
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 313
Related reactions
2 records
Compound notes
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