Basic information
- CAS
63990-86-3- Standard SMILES
CC(=O)OC(COc1ccccc1C(C)=O)CN1CCN(c2ccccc2)CC1.Cl.Cl- InChIKey
WKDGHNKIZHDFPJ-UHFFFAOYSA-N- Molecular formula
- C23H30Cl2N2O4
- Average molar mass
- 469.4 g/mol
- Monoisotopic mass
- 468.1582628
Names & identifiers
- Preferred name
- Acetophenone, 2'-((2-hydroxy-3-(4-phenylpiperazinyl))propoxy)-, dihydrochloride, acetate
- IUPAC
- [1-(2-acetylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-yl] acetate;dihydrochloride
Names & synonyms
63990-86-3Acetophenone, 2'-((2-hydroxy-3-(4-phenylpiperazinyl))propoxy)-, dihydrochloride, acetateRefChem:10758982'-((2-Hydroxy-3-(4-phenylpiperazinyl))propoxy)acetophenone dihydrochloride acetateDTXSID709817911-(2-Acetylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-yl acetate--hydrogen chloride (1/2)
Database identifiers
- CAS
63990-86-3- PubChem CID
- 46204
- DTXSID
DTXSID70981791
Properties
Computed structural properties
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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