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1-[4-(2,3-Dihydroindol-1-yl)-3-(hydroxymethyl)piperidin-1-yl]ethanone (HCID 22037992)|Huagongshe
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Compound
1-[4-(2,3-Dihydroindol-1-yl)-3-(hydroxymethyl)piperidin-1-yl]ethanone
HCID
22037992
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CC(=O)N1CCC(N2CCc3ccccc32)C(CO)C1
InChIKey
NBYLKJXSSCMSQB-UHFFFAOYSA-N
Molecular formula
C16H22N2O2
Average molar mass
274.36 g/mol
Monoisotopic mass
274.16812795
Names & identifiers
Preferred name
1-[4-(2,3-Dihydroindol-1-yl)-3-(hydroxymethyl)piperidin-1-yl]ethanone
IUPAC
1-[4-(2,3-dihydroindol-1-yl)-3-(hydroxymethyl)piperidin-1-yl]ethanone
Names & synonyms
SCHEMBL5871292
Database identifiers
PubChem CID
22037992
Properties
Computed structural properties
XLogP
1.3
Topological polar surface area
43.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
20
Formal charge
0
Complexity
360
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
2156362
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
HRID
2328620
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Compound notes
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