Piperazine, 1-(beta-hydroxy-3,4,5-trimethoxyhydrocinnamoyl)-4-o-tolyl-
Basic information
- CAS
23776-32-1- Standard SMILES
COc1cc(C(O)CC(=O)N2CCN(c3ccccc3C)CC2)cc(OC)c1OC- InChIKey
CHQRSNOPEWWWDK-UHFFFAOYSA-N- Molecular formula
- C23H30N2O5
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.21547206
Names & identifiers
- Preferred name
- Piperazine, 1-(beta-hydroxy-3,4,5-trimethoxyhydrocinnamoyl)-4-o-tolyl-
- IUPAC
- 3-hydroxy-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
- English name
- 1-[3-(3,4,5-Trimethoxyphenyl)-3-hydroxypropanoyl]-4-(2-methylphenyl)piperazine
- Molecular formula
- C23H30N2O5
- Molecular weight
- 414.49
Names & synonyms
1-(beta-Hydroxy-3,4,5-trimethoxyhydrocinnamoyl)-4-o-tolyl-piperazine23776-32-1Piperazine, 1-(beta-hydroxy-3,4,5-trimethoxyhydrocinnamoyl)-4-o-tolyl-N-(beta-Hydroxy-beta-(3,4,5-trimethoxyphenyl)propionyl)-N-(o-tolyl)piperazineRefChem:3724553-hydroxy-1-[4-(2-methylphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-oneDTXSID409465741-[3-(3,4,5-Trimethoxyphenyl)-3-hydroxypropanoyl]-4-(2-methylphenyl)piperazine1-Propanone, 3-hydroxy-1-[4-(2-methylphenyl)-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-
Database identifiers
- CAS
23776-32-1- PubChem CID
- 64857
- DTXSID
DTXSID40946574- Nikkaji
- J117.900D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 526
Physicochemical properties
- Boiling point
- 617.2 · 617.2±55.0 °C(Predicted)
- Density
- 1.191 · 1.191±0.06 g/cm3(Predicted)
- pka
- 13.48 · 13.48±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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