Basic information
- CAS
415930-00-6- Standard SMILES
Cc1ccccc1N1CCN(CC=Cc2ccccc2[N+](=O)[O-])CC1- InChIKey
IRHUKIJIEBPNJD-UHFFFAOYSA-N- Molecular formula
- C20H23N3O2
- Average molar mass
- 337.4 g/mol
- Monoisotopic mass
- 337.17902698
Names & identifiers
- Preferred name
- 1-(2-Methylphenyl)-4-[3-(2-nitrophenyl)-2-propen-1-yl]piperazine
- IUPAC
- 1-(2-methylphenyl)-4-[3-(2-nitrophenyl)prop-2-enyl]piperazine
Names & synonyms
1-(2-Methylphenyl)-4-[3-(2-nitrophenyl)-2-propen-1-yl]piperazineOprea1_680086DTXSID001170941415930-00-61-(2-Methylphenyl)-4-[3-(2-nitrophenyl)prop-2-en-1-yl]piperazine
Database identifiers
- CAS
415930-00-6- PubChem CID
- 782802
- DTXSID
DTXSID001170941
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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