Piperazine, 1-((6,7-diethoxy-3-methyl-2-benzofuranyl)carbonyl)-4-methyl-, monohydrochloride

HCID 218487

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Basic information

CAS: 40713-23-3
Standard SMILES: CCOc1ccc2c(C)c(C(=O)N3CCN(C)CC3)oc2c1OCC.Cl
InChIKey: OUTKGVOYKKRULL-UHFFFAOYSA-N
Molecular formula: C19H27ClN2O4
Average molar mass: 382.9 g/mol
Monoisotopic mass: 382.165935

Names & identifiers

Preferred name: Piperazine, 1-((6,7-diethoxy-3-methyl-2-benzofuranyl)carbonyl)-4-methyl-, monohydrochloride
IUPAC: (6,7-diethoxy-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone;hydrochloride

Names & synonyms

40713-23-3Piperazine, 1-((6,7-diethoxy-3-methyl-2-benzofuranyl)carbonyl)-4-methyl-, monohydrochloride1-((6,7-Diethoxy-3-methyl-2-benzofuranyl)carbonyl)-4-methylpiperazine monohydrochlorideDTXSID80193707RefChem:371831DTXCID80116198(6,7-Diethoxy-3-methylbenzofuran-2-yl)(4-methylpiperazin-1-yl)methanone hydrochloride(6,7-Diethoxy-3-methyl-1-benzofuran-2-yl)(4-methylpiperazin-1-yl)methanone--hydrogen chloride (1/1)

Database identifiers

CAS: 40713-23-3
PubChem CID: 218487
DTXSID: DTXSID80193707

Properties

Computed structural properties

Topological polar surface area: 55.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 26
Formal charge: 0
Complexity: 453

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