Basic information
- CAS
17766-66-4- Standard SMILES
COc1cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc(OC)c1OC- InChIKey
AGNKVORHQMBUCU-UHFFFAOYSA-N- Molecular formula
- C20H23ClN2O4
- Average molar mass
- 390.9 g/mol
- Monoisotopic mass
- 390.1346349
Names & identifiers
- Preferred name
- Ketone, 4-(p-chlorophenyl)piperazinyl 3,4,5-trimethoxyphenyl
- IUPAC
- [4-(4-chlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
- English name
- 4-(p-Chlorophenyl)-1-piperazinyl(3,4,5-trimethoxyphenyl) ketone
- Molecular formula
- C20H23ClN2O4
- Molecular weight
- 390.86
Names & synonyms
17766-66-4BRN 1603839KETONE, 4-(p-CHLOROPHENYL)PIPERAZINYL 3,4,5-TRIMETHOXYPHENYL1-(p-Chlorophenyl)-4-(3,4,5-trimethoxybenzoyl)piperazine4-(p-Chlorophenyl)piperazinyl 3,4,5-trimethyoxyphenyl ketonePiperazine, 1-(p-chlorophenyl)-4-(3,4,5-trimethoxybenzoyl)-DTXSID701703605-23-01-00179 (Beilstein Handbook Reference)RefChem:350425DTXCID20928514-(p-Chlorophenyl)-1-piperazinyl(3,4,5-trimethoxyphenyl) ketone[4-(4-chlorophenyl)piperazin-1-yl](3,4,5-trimethoxyphenyl)methanone
Show more names
4-(4-Chlorophenyl)-1-piperazinyl](3,4,5-trimethoxyphenyl)methanoneMethanone, [4-(4-chlorophenyl)-1-piperazinyl](3,4,5-trimethoxyphenyl)-
[4-(4-chlorophenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanoneSTK443314AKOS001424224ST50780553SR-01000594970SR-01000594970-1Z2836964304-(4-chlorophenyl)piperazinyl 3,4,5-trimethoxyphenyl ketone
Database identifiers
- CAS
17766-66-4- PubChem CID
- 28756
- DTXSID
DTXSID70170360- Nikkaji
- J41.541C
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 465
Physicochemical properties
- Boiling point
- 579.5 · 579.5±50.0 °C(Predicted)
- Density
- 1.1984 · 1.1984 (rough estimate)
- refractive index
- 1.68 · 1.6800 (estimate)
- pka
- 2.46 · 2.46±0.10(Predicted)
Chemistry & industry
Suppliers1 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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