Acetophenone, 2'-((2-hydroxy-3-(4-(o-methoxyphenyl)piperazinyl))propoxy)-
Basic information
- CAS
63990-74-9- Standard SMILES
COc1ccccc1N1CCN(CC(O)COc2ccccc2C(C)=O)CC1- InChIKey
LUKBTGVFHUVGRT-UHFFFAOYSA-N- Molecular formula
- C22H28N2O4
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.20490738
Names & identifiers
- Preferred name
- Acetophenone, 2'-((2-hydroxy-3-(4-(o-methoxyphenyl)piperazinyl))propoxy)-
- IUPAC
- 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone
- English name
- 2'-[2-Hydroxy-3-[4-(2-methoxyphenyl)piperazino]propoxy]acetophenone
- Molecular formula
- C22H28N2O4
- Molecular weight
- 384.47
Names & synonyms
63990-74-9ACETOPHENONE, 2'-((2-HYDROXY-3-(4-(o-METHOXYPHENYL)PIPERAZINYL))PROPOXY)-RefChem:10758962'-((2-Hydroxy-3-(4-(o-methoxyphenyl)piperazinyl))propoxy)acetophenone1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanoneBRN 0853433NSC147849DTXSID701384436AKOS002762868NSC 147849NSC-147849Ethanone, 1-[2-[2-hydroxy-3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy]phenyl]-
Show more names
DB-3236372'-[2-Hydroxy-3-[4-(2-methoxyphenyl)piperazino]propoxy]acetophenone
Database identifiers
- CAS
63990-74-9- PubChem CID
- 46187
- DTXSID
DTXSID701384436- Nikkaji
- J90.746D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 579.6 · 579.6±50.0 °C(Predicted)
- Density
- 1.169 · 1.169±0.06 g/cm3(Predicted)
- pka
- 13.98 · 13.98±0.20(Predicted)
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Compound notes
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