Propiophenone, 4'-fluoro-3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)-, dihydrochloride
Basic information
- CAS
21301-90-6- Standard SMILES
CC(C)CCOC(CN1CCN(CCC(=O)c2ccc(F)cc2)CC1)c1ccccc1.Cl.Cl- InChIKey
KEBOZJXUWKCXKT-UHFFFAOYSA-N- Molecular formula
- C26H37Cl2FN2O2
- Average molar mass
- 499.5 g/mol
- Monoisotopic mass
- 498.221612
Names & identifiers
- Preferred name
- Propiophenone, 4'-fluoro-3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)-, dihydrochloride
- IUPAC
- 1-(4-fluorophenyl)-3-[4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl]propan-1-one;dihydrochloride
Names & synonyms
21301-90-64'-Fluoro-3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)propiophenone dihydrochloridePropiophenone, 4'-fluoro-3-(4-(beta-(isopentyloxy)phenethyl)-1-piperazinyl)-, dihydrochlorideRefChem:375456DTXSID609438081-(4-Fluorophenyl)-3-{4-[2-(3-methylbutoxy)-2-phenylethyl]piperazin-1-yl}propan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21301-90-6- PubChem CID
- 210567
- DTXSID
DTXSID60943808
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 508
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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