Basic information
- CAS
16785-20-9- Standard SMILES
COc1ccccc1N1CCN(CC(=O)c2cc(OC)c(OC)c(OC)c2)CC1- InChIKey
QXJRANKEUCALKZ-UHFFFAOYSA-N- Molecular formula
- C22H28N2O5
- Average molar mass
- 400.5 g/mol
- Monoisotopic mass
- 400.199822
Names & identifiers
- Preferred name
- Acetophenone, 2-(4-(o-methoxyphenyl)piperazinyl)-3',4',5'-trimethoxy-
- IUPAC
- 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethanone
- English name
- α-[4-(2-Methoxyphenyl)-1-piperazinyl]-3',4',5'-trimethoxyacetophenone
- Molecular formula
- C22H28N2O5
- Molecular weight
- 400.47
Names & synonyms
16785-20-92-(4-(o-Methoxyphenyl)piperazinyl)-3',4',5'-trimethoxyacetophenone1-(o-Methoxyphenyl)-4-(3,4,5-trimethoxybenzoylmethyl)piperazineACETOPHENONE, 2-(4-(o-METHOXYPHENYL)PIPERAZINYL)-3',4',5'-TRIMETHOXY-DTXSID90168406Piperazine, 1-(o-methoxyphenyl)-4-(3,4,5-trimethoxybenzoylmethyl)-RefChem:316906DTXCID40908972-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(3,4,5-trimethoxyphenyl)ethan-1-oneα-[4-(2-Methoxyphenyl)-1-piperazinyl]-3',4',5'-trimethoxyacetophenoneEthanone, 2-[4-(2-methoxyphenyl)-1-piperazinyl]-1-(3,4,5-trimethoxyphenyl)-
Database identifiers
- CAS
16785-20-9- PubChem CID
- 28071
- DTXSID
DTXSID90168406- Nikkaji
- J55.179A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 497
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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