Basic information
- CAS
21263-35-4- Standard SMILES
COc1ccc(C(=O)CCN2CCN(C(Cc3ccccc3)OC(C)(C)C)CC2)c(OC)c1.Cl.Cl- InChIKey
GDSCMQMDMGDXOS-UHFFFAOYSA-N- Molecular formula
- C27H40Cl2N2O4
- Average molar mass
- 527.5 g/mol
- Monoisotopic mass
- 526.2365131
Names & identifiers
- Preferred name
- Propiophenone, 2',4'-dimethoxy-3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-, dihydrochloride
- IUPAC
- 1-(2,4-dimethoxyphenyl)-3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]propan-1-one;dihydrochloride
Names & synonyms
21263-35-42',4'-Dimethoxy-3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)propiophenone dihydrochloridePropiophenone, 2',4'-dimethoxy-3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-, dihydrochlorideRefChem:375262DTXSID909437153-[4-(1-tert-Butoxy-2-phenylethyl)piperazin-1-yl]-1-(2,4-dimethoxyphenyl)propan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21263-35-4- PubChem CID
- 210489
- DTXSID
DTXSID90943715
Properties
Computed structural properties
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 579
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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