Basic information
- CAS
63990-71-6- Standard SMILES
COc1ccc(N2CCN(CC(O)COc3cccc(C(C)=O)c3)CC2)cc1OC.Cl.Cl- InChIKey
IRUXAEDBQBZIGG-UHFFFAOYSA-N- Molecular formula
- C23H32Cl2N2O5
- Average molar mass
- 487.4 g/mol
- Monoisotopic mass
- 486.1688275
Names & identifiers
- Preferred name
- Acetophenone, 3'-((3-(4-(3,4-dimethoxyphenyl)piperazinyl)-2-hydroxy)propoxy)-, dihydrochloride
- IUPAC
- 1-[3-[3-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]ethanone;dihydrochloride
Names & synonyms
Acetophenone, 3'-((3-(4-(3,4-dimethoxyphenyl)piperazinyl)-2-hydroxy)propoxy)-, dihydrochloride63990-71-6RefChem:316933DTXSID609817801-(3-{3-[4-(3,4-Dimethoxyphenyl)piperazin-1-yl]-2-hydroxypropoxy}phenyl)ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
63990-71-6- PubChem CID
- 46182
- DTXSID
DTXSID60981780
Properties
Computed structural properties
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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