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4-(5-Methyl-1-benzofuran-3-yl)piperidine (HCID 21471826)|Huagongshe
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Compound
4-(5-Methyl-1-benzofuran-3-yl)piperidine
HCID
21471826
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Cc1ccc2occ(C3CCNCC3)c2c1
InChIKey
COYQZLHEUQJPGL-UHFFFAOYSA-N
Molecular formula
C14H17NO
Average molar mass
215.29 g/mol
Names & identifiers
Preferred name
4-(5-Methyl-1-benzofuran-3-yl)piperidine
IUPAC
4-(5-methyl-1-benzofuran-3-yl)piperidine
Names & synonyms
SCHEMBL4503187
SCHEMBL8920622
SCHEMBL29688968
196101-49-2
DB-086277
Database identifiers
PubChem CID
21471826
Properties
Computed structural properties
XLogP
2.8
Topological polar surface area
25.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
237
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Related reactions
3 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
290647
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
822157
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
2161990
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Compound notes
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