2-(4-((4-Methoxyphenyl)sulfonyl)piperazin-1-yl)ethanol
Basic information
- CAS
321531-40-2- Standard SMILES
COc1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1- InChIKey
VEWVVGUOHKZQOI-UHFFFAOYSA-N- Molecular formula
- C13H20N2O4S
- Average molar mass
- 300.38 g/mol
- Monoisotopic mass
- 300.1143783
Names & identifiers
- Preferred name
- 2-(4-((4-Methoxyphenyl)sulfonyl)piperazin-1-yl)ethanol
- IUPAC
- 2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanol
- English name
- 2-(4-((4-Methoxyphenyl)sulfonyl)piperazin-1-yl)ethanol
- Molecular formula
- C13H20N2O4S
- Molecular weight
- 300.37
Names & synonyms
321531-40-22-(4-((4-Methoxyphenyl)sulfonyl)piperazin-1-yl)ethanol2-{4-[(4-methoxyphenyl)sulfonyl]piperazino}-1-ethanol2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethanolMFCD012119792-[4-(4-methoxybenzenesulfonyl)piperazin-1-yl]ethan-1-ol2-{4-[(4-methoxyphenyl)sulfonyl]piperazino} -1-ethanol2-(4-((4-methoxyphenyl)sulfonyl)piperazin-1-yl)ethan-1-ol1-(2-hydroxyethyl)-4-[(4-methoxyphenyl)sulfonyl]piperazine2-[4-(4-Methoxybenzene-1-sulfonyl)piperazin-1-yl]ethan-1-ol2-{4-[(4-methoxyphenyl)sulfonyl]piperazin-1-yl}ethanolOprea1_443427
Show more names
1-Piperazineethanol, 4-[(4-methoxyphenyl)sulfonyl]-2-{4-[(4-methoxyphenyl)sulfonyl]-1-piperazinyl}ethanol
Oprea1_8668062-[4-(4-Methoxy-benzenesulfonyl)-piperazin-1-yl]-ethanolDTXSID80349929HMS1612C12HMS5088F20CCG-19294STK031681AKOS001415709
Database identifiers
- CAS
321531-40-2- PubChem CID
- 668796
- DTXSID
DTXSID80349929
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 474.7 · 474.7±55.0 °C(Predicted)
- Density
- 1.278 · 1.278±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.96 · 14.96±0.10(Predicted)
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Compound notes
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