Basic information
- CAS
21263-02-5- Standard SMILES
CCC(C)OC(Cc1ccccc1)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1.Cl.Cl- InChIKey
QASPFOBCIIDDQN-UHFFFAOYSA-N- Molecular formula
- C26H37Cl2FN2O2
- Average molar mass
- 499.5 g/mol
- Monoisotopic mass
- 498.221612
Names & identifiers
- Preferred name
- Butyrophenone, 4-(4-(beta-butoxyphenethyl)-1-piperazinyl)-4'-fluoro-, dihydrochloride
- IUPAC
- 4-[4-(1-butan-2-yloxy-2-phenylethyl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-one;dihydrochloride
Names & synonyms
21263-02-54-(4-(beta-Butoxyphenethyl)-1-piperazinyl)-4'-fluorobutyrophenone dihydrochlorideButyrophenone, 4-(4-(beta-butoxyphenethyl)-1-piperazinyl)-4'-fluoro-, dihydrochlorideRefChem:331453DTXSID009436854-(4-{1-[(Butan-2-yl)oxy]-2-phenylethyl}piperazin-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21263-02-5- PubChem CID
- 210429
- DTXSID
DTXSID00943685
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
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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