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

HCID 46190

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Basic information

CAS: 63990-77-2
Standard SMILES: COc1cccc(N2CCN(CC(O)COc3ccccc3C(C)=O)CC2)c1.Cl.Cl
InChIKey: MXWLYAJUZGDOGU-UHFFFAOYSA-N
Molecular formula: C22H30Cl2N2O4
Average molar mass: 457.4 g/mol
Monoisotopic mass: 456.1582628

Names & identifiers

Preferred name: Acetophenone, 2'-((2-hydroxy-3-(4-(m-methoxyphenyl)piperazinyl))propoxy)-, dihydrochloride
IUPAC: 1-[2-[2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone;dihydrochloride

Names & synonyms

Acetophenone, 2'-((2-hydroxy-3-(4-(m-methoxyphenyl)piperazinyl))propoxy)-, dihydrochloride63990-77-22'-((2-Hydroxy-3-(4-(m-methoxyphenyl)piperazinyl))propoxy)acetophenone dihydrochlorideRefChem:316871DTXSID609817851-(2-{2-Hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy}phenyl)ethan-1-one--hydrogen chloride (1/2)

Database identifiers

CAS: 63990-77-2
PubChem CID: 46190
DTXSID: DTXSID60981785

Properties

Computed structural properties

Topological polar surface area: 62.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 30
Formal charge: 0
Complexity: 481

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