1-Piperazineethanol, 4-(4-methylphenyl)-alpha-(4-(methylsulfonyl)phenyl)-, (Z)-2-butenedioate (1:1)
Basic information
- CAS
56621-72-8- Standard SMILES
Cc1ccc(N2CCN(CC(O)c3ccc(S(C)(=O)=O)cc3)CC2)cc1.O=C(O)/C=C/C(=O)O- InChIKey
HVNYCGLFEMBSDW-WLHGVMLRSA-N- Molecular formula
- C24H30N2O7S
- Average molar mass
- 490.6 g/mol
- Monoisotopic mass
- 490.17737247
Names & identifiers
- Preferred name
- 1-Piperazineethanol, 4-(4-methylphenyl)-alpha-(4-(methylsulfonyl)phenyl)-, (Z)-2-butenedioate (1:1)
- IUPAC
- (E)-but-2-enedioic acid;2-[4-(4-methylphenyl)piperazin-1-yl]-1-(4-methylsulfonylphenyl)ethanol
Names & synonyms
1-Piperazineethanol, 4-(4-methylphenyl)-alpha-(4-(methylsulfonyl)phenyl)-, (Z)-2-butenedioate (1:1)56621-72-8RefChem:10565811-(4-Methanesulfonylphenyl)-2-(4-p-tolylpiperazino)ethanol maleate4-(4-Methylphenyl)-alpha-(4-(methylsulfonyl)phenyl)-1-piperazineethanol maleate
Database identifiers
- CAS
56621-72-8- PubChem CID
- 6446296
Properties
Computed structural properties
- Topological polar surface area
- 144 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 643
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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