Acetophenone, 3'-((2-hydroxy-3-(4-(o-methoxyphenyl)piperazinyl))propoxy)-

HCID 46188

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Basic information

CAS: 63990-75-0
Standard SMILES: COc1ccccc1N1CCN(CC(O)COc2cccc(C(C)=O)c2)CC1
InChIKey: DRPFIPXZBMWJTH-UHFFFAOYSA-N
Molecular formula: C22H28N2O4
Average molar mass: 384.5 g/mol
Monoisotopic mass: 384.20490738

Names & identifiers

Preferred name: Acetophenone, 3'-((2-hydroxy-3-(4-(o-methoxyphenyl)piperazinyl))propoxy)-
IUPAC: 1-[3-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone
English name: 3'-[2-Hydroxy-3-[4-(2-methoxyphenyl)piperazino]propoxy]acetophenone
Molecular weight: 0

Names & synonyms

BRN 085129963990-75-03'-((2-Hydroxy-3-(4-(o-methoxyphenyl)piperazinyl))propoxy)acetophenoneACETOPHENONE, 3'-((2-HYDROXY-3-(4-(o-METHOXYPHENYL)PIPERAZINYL))PROPOXY)-RefChem:316926DTXSID40981783AKOS0085705721-(3-{2-Hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy}phenyl)ethan-1-oneDB-2940303'-[2-Hydroxy-3-[4-(2-methoxyphenyl)piperazino]propoxy]acetophenone

Database identifiers

CAS: 63990-75-0
PubChem CID: 46188
DTXSID: DTXSID40981783
Nikkaji: J90.747B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 62.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 28
Formal charge: 0
Complexity: 481

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