1-(3,4-Dihydroxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-YL]ethan-1-one
Basic information
- CAS
15532-98-6- Standard SMILES
COc1ccccc1N1CCN(CC(=O)c2ccc(O)c(O)c2)CC1- InChIKey
MPHPDMUOEKCXGX-UHFFFAOYSA-N- Molecular formula
- C19H22N2O4
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.15795719
Names & identifiers
- Preferred name
- 1-(3,4-Dihydroxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-YL]ethan-1-one
- IUPAC
- 1-(3,4-dihydroxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
- English name
- 1-(3,4-dihydroxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethan-1-one
- Molecular formula
- C19H22N2O4
- Molecular weight
- 342.39
Names & synonyms
15532-98-61-(3,4-DIHYDROXYPHENYL)-2-[4-(2-METHOXYPHENYL)PIPERAZIN-1-YL]ETHAN-1-ONE1-(3,4-dihydroxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone1-(3,4-Dihydroxyphenyl)-2-(4-(2-methoxyphenyl)piperazin-1-yl)ethan-1-oneEINECS 239-576-5MPHPDMUOEKCXGX-UHFFFAOYSA-NSCHEMBL31419974DTXSID70165877NS000250433',4'-Dihydroxy-α-[4-(2-methoxyphenyl)piperazin-1-yl]acetophenoneEthanone, 1-(3,4-dihydroxyphenyl)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-
Database identifiers
- CAS
15532-98-6- PubChem CID
- 84972
- DTXSID
DTXSID70165877- EC Number
- 239-576-5
- Nikkaji
- J317.953B
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 439
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Compound notes
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