Basic information
- CAS
51037-67-3- Standard SMILES
CN(C)C(=O)OC(CCN1CCN(c2ccccc2)CC1)C(=O)c1ccc(F)cc1.Cl.Cl- InChIKey
HWRSSPONGIPXSW-UHFFFAOYSA-N- Molecular formula
- C23H30Cl2FN3O3
- Average molar mass
- 486.4 g/mol
- Monoisotopic mass
- 485.1648254
Names & identifiers
- Preferred name
- 1-Butanone, 2-((dimethylcarbamoyl)oxy)-1-(4-fluorophenyl)-4-(4-phenyl-1-piperazinyl)-, dihydrochloride
- IUPAC
- [1-(4-fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl] N,N-dimethylcarbamate;dihydrochloride
Names & synonyms
51037-67-31-Butanone, 2-((dimethylcarbamoyl)oxy)-1-(4-fluorophenyl)-4-(4-phenyl-1-piperazinyl)-, dihydrochlorideRefChem:10551191-(4-Fluorophenyl)-2-((dimethylcarbamoyl)oxy)-4-(4-phenyl-1-piperazinyl)-1-butanone 2HClButyrophenone, 4'-fluoro-2-hydroxy-4-(4-phenyl-1-piperazinyl)-, dimethylcarbamateCarbamic acid, dimethyl-, 1-(4-fluorobenzoyl)-3-(4-phenyl-1-piperazinyl)propyl ester 2HClDTXSID609653231-(4-Fluorophenyl)-1-oxo-4-(4-phenylpiperazin-1-yl)butan-2-yl dimethylcarbamate--hydrogen chloride (1/2)
Database identifiers
- CAS
51037-67-3- PubChem CID
- 39885
- DTXSID
DTXSID60965323
Properties
Computed structural properties
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 552
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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