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Ethyl 1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-3-carboxylate (HCID 68575359)|Huagongshe
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Compound
Ethyl 1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-3-carboxylate
HCID
68575359
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
CCOC(=O)C1CCCN(CC(O)COc2cccc3ncccc23)C1
InChIKey
DOXFRXXQQXFDLP-UHFFFAOYSA-N
Molecular formula
C20H26N2O4
Average molar mass
358.4 g/mol
Names & identifiers
Preferred name
Ethyl 1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-3-carboxylate
IUPAC
ethyl 1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-3-carboxylate
Names & synonyms
SCHEMBL3269739
Database identifiers
PubChem CID
68575359
Properties
Computed structural properties
XLogP
2.3
Topological polar surface area
71.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
26
Formal charge
0
Complexity
448
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Related reactions
2 records
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
300856
As product
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID
312527
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Compound notes
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