Basic information
- CAS
16785-32-3- Standard SMILES
COc1cc(C(=O)CN2CCN(c3ccccn3)CC2)cc(OC)c1OC.Cl.Cl- InChIKey
KLKVUXPRXLNDEX-UHFFFAOYSA-N- Molecular formula
- C20H27Cl2N3O4
- Average molar mass
- 444.3 g/mol
- Monoisotopic mass
- 443.1378617
Names & identifiers
- Preferred name
- Acetophenone, 2-(4-(2-pyridyl)piperazinyl)-3',4',5'-trimethoxy-, dihydrochloride
- IUPAC
- 2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
Names & synonyms
16785-32-3ACETOPHENONE, 2-(4-(2-PYRIDYL)PIPERAZINYL)-3',4',5'-TRIMETHOXY-, DIHYDROCHLORIDE1-(2-Pyridyl)-4-(3,4,5-trimethoxybenzoylmethyl)piperazine dihydrochlorideDTXSID201684142-(4-(2-Pyridyl)piperazinyl)-3',4',5'-trimethoxyacetophenone dihydrochloridePiperazine, 1-(2-pyridyl)-4-(3,4,5-trimethoxybenzoylmethyl)-, dihydrochlorideRefChem:316901DTXCID10909052-[4-(Pyridin-2-yl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethan-1-one--hydrogen chloride (1/2)
Database identifiers
- CAS
16785-32-3- PubChem CID
- 28078
- DTXSID
DTXSID20168414
Properties
Computed structural properties
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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