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

HCID 218482

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Basic information

CAS: 40713-19-7
Standard SMILES: COc1ccc2c(C)c(C(=O)N3CCN(C)CC3)oc2c1OC.Cl
InChIKey: WWQBMXJCRSTRDV-UHFFFAOYSA-N
Molecular formula: C17H23ClN2O4
Average molar mass: 354.8 g/mol
Monoisotopic mass: 354.1346349

Names & identifiers

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

Names & synonyms

40713-19-7Piperazine, 1-((6,7-dimethoxy-3-methyl-2-benzofuranyl)carbonyl)-4-methyl-, monohydrochloride1-((6,7-Dimethoxy-3-methyl-2-benzofuranyl)carbonyl)-4-methylpiperazine monohydrochlorideDTXSID40193703RefChem:371832DTXCID40116194(6,7-Dimethoxy-3-methylbenzofuran-2-yl)(4-methylpiperazin-1-yl)methanone hydrochloride(6,7-Dimethoxy-3-methyl-1-benzofuran-2-yl)(4-methylpiperazin-1-yl)methanone--hydrogen chloride (1/1)

Database identifiers

CAS: 40713-19-7
PubChem CID: 218482
DTXSID: DTXSID40193703

Properties

Computed structural properties

Topological polar surface area: 55.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 24
Formal charge: 0
Complexity: 425

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