Basic information
- CAS
355818-57-4- Standard SMILES
COc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c(OC)c1- InChIKey
UWGWOIWDQKYYMG-UHFFFAOYSA-N- Molecular formula
- C20H25BrN2O2
- Average molar mass
- 405.3 g/mol
Names & identifiers
- Preferred name
- 1-[(4-Bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
- IUPAC
- 1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
- English name
- 1-(4-bromobenzyl)-4-(2,4-dimethoxybenzyl)piperazine
- Molecular formula
- C20H25BrN2O2
- Molecular weight
- 405.33
Names & synonyms
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine1-(4-bromobenzyl)-4-(2,4-dimethoxybenzyl)piperazineOprea1_239486Oprea1_508269AK-968/13150463STK145039AKOS001618857CCG-107643355818-57-4Piperazine, 1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]-
Database identifiers
- CAS
355818-57-4
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Boiling point
- 484.9 · 484.9±40.0 °C(Predicted)
- Density
- 1.31 · 1.310±0.06 g/cm3(Predicted)
- pka
- 6.51 · 6.51±0.10(Predicted)
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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