Propiophenone, 3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-4'-methoxy-2-methyl-, dihydrochloride

HCID 210451

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Basic information

CAS: 21263-15-0
Standard SMILES: COc1ccc(C(=O)C(C)CN2CCN(C(Cc3ccccc3)OC(C)(C)C)CC2)cc1.Cl.Cl
InChIKey: IRIGFUGVDODHRW-UHFFFAOYSA-N
Molecular formula: C27H40Cl2N2O3
Average molar mass: 511.5 g/mol
Monoisotopic mass: 510.2415985

Names & identifiers

Preferred name: Propiophenone, 3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-4'-methoxy-2-methyl-, dihydrochloride
IUPAC: 1-(4-methoxyphenyl)-2-methyl-3-[4-[1-[(2-methylpropan-2-yl)oxy]-2-phenylethyl]piperazin-1-yl]propan-1-one;dihydrochloride

Names & synonyms

21263-15-0Propiophenone, 3-(4-(beta-isobutoxyphenethyl)-1-piperazinyl)-4'-methoxy-2-methyl-, dihydrochlorideRefChem:375345DTXSID109436963-[4-(1-tert-Butoxy-2-phenylethyl)piperazin-1-yl]-1-(4-methoxyphenyl)-2-methylpropan-1-one--hydrogen chloride (1/2)

Database identifiers

CAS: 21263-15-0
PubChem CID: 210451
DTXSID: DTXSID10943696

Properties

Computed structural properties

Topological polar surface area: 42 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 10
Heavy atoms: 34
Formal charge: 0
Complexity: 554

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