Basic information
- CAS
21230-80-8- Standard SMILES
CCOC(Cc1ccccc1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl.Cl- InChIKey
SONKSOWDZRUXOS-UHFFFAOYSA-N- Molecular formula
- C24H33Cl2FN2O2
- Average molar mass
- 471.4 g/mol
- Monoisotopic mass
- 470.1903118
Names & identifiers
- Preferred name
- Butyrophenone, 4-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-4'-fluoro-, dihydrochloride
- IUPAC
- 4-[4-(1-ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;dihydrochloride
Names & synonyms
21230-80-84-(4-(beta-Ethoxyphenethyl)-1-piperazinyl)-4'-fluorobutyrophenone dihydrochlorideButyrophenone, 4-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-4'-fluoro-, dihydrochlorideRefChem:331454DTXSID509436504-[4-(1-Ethoxy-2-phenylethyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21230-80-8- PubChem CID
- 210396
- DTXSID
DTXSID50943650
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 468
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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