Ketone, 4-(2-pyridyl)piperazinyl 3,4,5-trimethoxyphenyl
Basic information
- CAS
17766-77-7- Standard SMILES
COc1cc(C(=O)N2CCN(c3ccccn3)CC2)cc(OC)c1OC- InChIKey
FCSIXXHVPJCRTN-UHFFFAOYSA-N- Molecular formula
- C19H23N3O4
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.16885622
Overview
[4-(2-pyridinyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone is a member of piperazines and a member of pyridines.
Names & identifiers
- Preferred name
- Ketone, 4-(2-pyridyl)piperazinyl 3,4,5-trimethoxyphenyl
- IUPAC
- (4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
- English name
- 1-(2-Pyridyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
- Molecular weight
- 0
Names & synonyms
17766-77-74-(2-Pyridyl)piperazinyl 3,4,5-trimethoxyphenyl ketoneBRN 1601185KETONE, 4-(2-PYRIDYL)PIPERAZINYL 3,4,5-TRIMETHOXYPHENYL1-(3,4,5-Trimethoxybenzoyl)-4-(2-pyridyl)piperazinePiperazine, 1-(2-pyridyl)-4-(3,4,5-trimethoxybenzoyl)-DTXSID101703645-23-03-00029 (Beilstein Handbook Reference)RefChem:350419DTXCID2092855(4-pyridin-2-ylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone1-(2-Pyridyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
Show more names
MLS001210948SMR000518691(4-Pyridin-2-yl-piperazin-1-yl)-(3,4,5-trimethoxy-phenyl)-methanone[4-(2-pyridinyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanoneOprea1_017055Oprea1_374133cid_28761CHEMBL1404540
Database identifiers
- CAS
17766-77-7- PubChem CID
- 28761
- DTXSID
DTXSID10170364
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 442
Experimental & physicochemical properties
Solubility>53.6 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 490.04 °C · 490.04°C (rough estimate)
- Density
- 1.2568 · 1.2568 (rough estimate)
- refractive index
- 1.59 · 1.5900 (estimate)
Chemistry & industry
Additional notes
DefinitionChEBI: [4-(2-pyridinyl)-1-piperazinyl]-(3,4,5-trimethoxyphenyl)methanone is a member of pyridines and a member of piperazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…