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4-(6-Fluoro-1-benzothiophen-3-yl)piperidine (HCID 10105486)|Huagongshe
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Compound
4-(6-Fluoro-1-benzothiophen-3-yl)piperidine
HCID
10105486
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Reactions
Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Fc1ccc2c(C3CCNCC3)csc2c1
InChIKey
MZRDNBCYGJUJLM-UHFFFAOYSA-N
Molecular formula
C13H14FNS
Average molar mass
235.32 g/mol
Names & identifiers
Preferred name
4-(6-Fluoro-1-benzothiophen-3-yl)piperidine
IUPAC
4-(6-fluoro-1-benzothiophen-3-yl)piperidine
Names & synonyms
SCHEMBL7468044
SCHEMBL8917725
Database identifiers
PubChem CID
10105486
Properties
Computed structural properties
XLogP
3.2
Topological polar surface area
40.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Formal charge
0
Complexity
242
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Related reactions
9 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
105722
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
144090
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
153818
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID
702020
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID
836979
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1142546
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1148442
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1562858
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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