Acetophenone, 2-(4-(o-chlorophenyl)piperazinyl)-3',4',5'-trimethoxy-
Basic information
- CAS
17755-62-3- Standard SMILES
COc1cc(C(=O)CN2CCN(c3ccccc3Cl)CC2)cc(OC)c1OC- InChIKey
RQNRHFFZESIVSE-UHFFFAOYSA-N- Molecular formula
- C21H25ClN2O4
- Average molar mass
- 404.9 g/mol
- Monoisotopic mass
- 404.150285
Names & identifiers
- Preferred name
- Acetophenone, 2-(4-(o-chlorophenyl)piperazinyl)-3',4',5'-trimethoxy-
- IUPAC
- 2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone
- English name
- α-[4-(o-Chlorophenyl)-1-piperazinyl]-3',4',5'-trimethoxyacetophenone
- Molecular formula
- C21H25ClN2O4
- Molecular weight
- 404.89
Names & synonyms
BRN 160529917755-62-3ACETOPHENONE, 2-(4-(o-CHLOROPHENYL)PIPERAZINYL)-3',4',5'-TRIMETHOXY-2-(4-(o-Chlorophenyl)piperazinyl)-3',4',5'-trimethoxyacetophenone1-(o-Chlorophenyl)-4-(3,4,5-trimethoxybenzoylmethyl)piperazineDTXSID80170331Piperazine, 1-(o-chlorophenyl)-4-(3,4,5-trimethoxybenzoylmethyl)-5-23-02-00260 (Beilstein Handbook Reference)RefChem:316905DTXCID50928222-[4-(2-chlorophenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethan-1-oneα-[4-(o-Chlorophenyl)-1-piperazinyl]-3',4',5'-trimethoxyacetophenone
Show more names
Ethanone, 2-[4-(2-chlorophenyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-
Database identifiers
- CAS
17755-62-3- PubChem CID
- 28737
- DTXSID
DTXSID80170331- Nikkaji
- J55.022A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 487
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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