Ketone, 4-(p-tolyl)piperazinyl 3,4,5-trimethoxyphenyl
Basic information
- CAS
17766-75-5- Standard SMILES
COc1cc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc(OC)c1OC- InChIKey
PPZFNVKWQORGGR-UHFFFAOYSA-N- Molecular formula
- C21H26N2O4
- Average molar mass
- 370.4 g/mol
- Monoisotopic mass
- 370.18925731
Names & identifiers
- Preferred name
- Ketone, 4-(p-tolyl)piperazinyl 3,4,5-trimethoxyphenyl
- IUPAC
- [4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
- English name
- 1-(p-Tolyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
- Molecular weight
- 0
Names & synonyms
1-(p-Tolyl)-4-(3,4,5-trimethoxybenzoyl)piperazine17766-75-5BRN 16025214-(p-Tolyl)piperazinyl 3,4,5-trimethoxyphenyl ketoneKETONE, 4-(p-TOLYL)PIPERAZINYL 3,4,5-TRIMETHOXYPHENYLPiperazine, 1-(p-tolyl)-4-(3,4,5-trimethoxybenzoyl)-DTXSID501703635-23-01-00191 (Beilstein Handbook Reference)RefChem:350429DTXCID7092854[4-(4-methylphenyl)piperazin-1-yl](3,4,5-trimethoxyphenyl)methanone[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
Show more names
STL188589AKOS025266587
Database identifiers
- CAS
17766-75-5- PubChem CID
- 28760
- DTXSID
DTXSID50170363- Nikkaji
- J41.583I
Properties
Computed structural properties
- XLogP
- 3.3
- 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
- 459
Physicochemical properties
- Boiling point
- 500.34 °C · 500.34°C (rough estimate)
- Density
- 1.207 · 1.2070 (rough estimate)
- refractive index
- 1.65 · 1.6500 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…