Basic information
- CAS
35689-00-0- Standard SMILES
COc1ccc2c(C)c(C(=O)N3CCN(C)CC3)oc2c1.Cl- InChIKey
IRWKSRKEBOYZPU-UHFFFAOYSA-N- Molecular formula
- C16H21ClN2O3
- Average molar mass
- 324.8 g/mol
- Monoisotopic mass
- 324.1240702
Names & identifiers
- Preferred name
- Piperazine, 1-((6-methoxy-3-methylbenzofuran-2-yl)carbonyl)-4-methyl-, hydrochloride
- IUPAC
- (6-methoxy-3-methyl-1-benzofuran-2-yl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
Names & synonyms
35689-00-0Piperazine, 1-((6-methoxy-3-methylbenzofuran-2-yl)carbonyl)-4-methyl-, hydrochlorideDTXSID901891964-Methyl-1-((6-methoxy-3-methylbenzofuran-2-yl)carbonyl)piperazineRefChem:371836DTXCID20111687(6-Methoxy-3-methylbenzofuran-2-yl)(4-methylpiperazin-1-yl)methanone hydrochloride(6-Methoxy-3-methyl-1-benzofuran-2-yl)(4-methylpiperazin-1-yl)methanone--hydrogen chloride (1/1)
Database identifiers
- CAS
35689-00-0- PubChem CID
- 215427
- DTXSID
DTXSID90189196
Properties
Computed structural properties
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 382
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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