4-(1-Hydroxy-2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-1,2-benzenediol
Basic information
- CAS
15534-05-1- Standard SMILES
COc1ccccc1N1CCN(CC(O)c2ccc(O)c(O)c2)CC1- InChIKey
QESTYTNSJJTQCI-UHFFFAOYSA-N- Molecular formula
- C19H24N2O4
- Average molar mass
- 344.4 g/mol
- Monoisotopic mass
- 344.17360725
Overview
RN given refers to parent cpd; structure
Names & identifiers
- Preferred name
- 4-(1-Hydroxy-2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-1,2-benzenediol
- IUPAC
- 4-[1-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzene-1,2-diol
- English name
- pipratecol
- Molecular formula
- C19H24N2O4
- Molecular weight
- 344.409
Names & synonyms
Pipratecol15534-05-1Pipratecolum711 SE711SEE33L6C08A5711-SEpipratecoloRefChem:912019alpha-(3,4-dihydroxyphenyl)-4-(2-methoxyphenyl)-1-piperazinethanol4-(1-Hydroxy-2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-1,2-benzenediol239-578-6
Show more names
α-(3,4-Dihydroxyphenyl)-4-(2-methoxyphenyl)-1-piperazineethanol1,2-Benzenediol, 4-[1-hydroxy-2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-
4-[1-hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzene-1,2-diolalpha-(3,4-Dihydroxyphenyl)-4-(2-methoxyphenyl)-1-piperazineethanol711SE; S 4216S-42164-{1-Hydroxy-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzene-1,2-diolPipratecol [INN:DCF]Pipratecolum [INN-Latin]UNII-E33L6C08A5
Database identifiers
- CAS
15534-05-1- PubChem CID
- 71684
- DTXSID
DTXSID30864596- ChEMBL
CHEMBL2105227- UNII
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 403
Physicochemical properties
- Boiling point
- 576.8 · 576.8±50.0 °C(Predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- pka
- 9.61 · 9.61±0.10(Predicted)
- FDA UNII
- 33 L6C08A5 · E33L6C08A5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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