1,2-Dimethyl-4-(2-fluoro-4-nitrophenyl)piperazine
Basic information
- CAS
837421-29-1- Standard SMILES
CC1CN(c2ccc([N+](=O)[O-])cc2F)CCN1C- InChIKey
GTIXDWFEBYRCAR-UHFFFAOYSA-N- Molecular formula
- C12H16FN3O2
- Average molar mass
- 253.27 g/mol
- Monoisotopic mass
- 253.12265492
Names & identifiers
- Preferred name
- 1,2-Dimethyl-4-(2-fluoro-4-nitrophenyl)piperazine
- IUPAC
- 4-(2-fluoro-4-nitrophenyl)-1,2-dimethylpiperazine
Names & synonyms
837421-29-1SCHEMBL4812720GTIXDWFEBYRCAR-UHFFFAOYSA-NDTXSID0012341791,2-Dimethyl-4-(2-fluoro-4-nitrophenyl)piperazine4-(2-fluoro-4-nitrophenyl)-1,2-dimethylpiperazine
Database identifiers
- CAS
837421-29-1- PubChem CID
- 69201010
- DTXSID
DTXSID001234179
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
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Related reactions
2 records
Compound notes
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