Basic information
- CAS
21263-08-1- Standard SMILES
CCOC(CN1CCN(CC(C)C(=O)c2ccc(Cl)cc2)CC1)c1ccccc1.Cl.Cl- InChIKey
FJRXXRJBDMSQDX-UHFFFAOYSA-N- Molecular formula
- C24H33Cl3N2O2
- Average molar mass
- 487.9 g/mol
- Monoisotopic mass
- 486.160761
Names & identifiers
- Preferred name
- Propiophenone, 4'-chloro-3-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-2-methyl-, dihydrochloride
- IUPAC
- 1-(4-chlorophenyl)-3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
Names & synonyms
21263-08-14'-Chloro-3-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-2-methylpropiophenone dihydrochloride1-Propanone, 1-(4-chlorophenyl)-3-(4-(2-ethoxy-2-phenylethyl)-1-piperazinyl)-2-methyl-, 2HClPropiophenone, 4'-chloro-3-(4-(beta-ethoxyphenethyl)-1-piperazinyl)-2-methyl-, dihydrochlorideRefChem:375446DTXSID409436891-(4-Chlorophenyl)-3-[4-(2-ethoxy-2-phenylethyl)piperazin-1-yl]-2-methylpropan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
21263-08-1- PubChem CID
- 210437
- DTXSID
DTXSID40943689
Properties
Computed structural properties
- Topological polar surface area
- 32.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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