Propiophenone, 4'-chloro-3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-, dihydrochloride
Basic information
- CAS
21263-33-2- Standard SMILES
CC(C)(C)OC(Cc1ccccc1)N1CCN(CCC(=O)c2ccc(Cl)cc2)CC1.Cl.Cl- InChIKey
OAVPDJQIHFTUFL-UHFFFAOYSA-N- Molecular formula
- C25H35Cl3N2O2
- Average molar mass
- 501.9 g/mol
- Monoisotopic mass
- 500.176411
Names & identifiers
- Preferred name
- Propiophenone, 4'-chloro-3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-, dihydrochloride
- IUPAC
- 1-(4-chlorophenyl)-3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]propan-1-one;dihydrochloride
Names & synonyms
21263-33-24'-Chloro-3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)propiophenone dihydrochloridePropiophenone, 4'-chloro-3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-, dihydrochlorideRefChem:375447DTXSID709437133-[4-(1-tert-Butoxy-2-phenylethyl)piperazin-1-yl]-1-(4-chlorophenyl)propan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21263-33-2- PubChem CID
- 210485
- DTXSID
DTXSID70943713
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 514
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Compound notes
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