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(5,5-Dimethyl-8-propan-2-ylchromeno[4,3-c]pyridin-10-yl) 4-piperidin-1-ylbutanoate (HCID 20287906)|Huagongshe
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Compound
(5,5-Dimethyl-8-propan-2-ylchromeno[4,3-c]pyridin-10-yl) 4-piperidin-1-ylbutanoate
HCID
20287906
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Basic information
Names & identifiers
Properties
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Compound notes
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Basic information
Standard SMILES
CC(C)c1cc(OC(=O)CCCN2CCCCC2)c2c(c1)OC(C)(C)c1ccncc1-2
InChIKey
QWGGQWGLSKSFOB-UHFFFAOYSA-N
Molecular formula
C26H34N2O3
Average molar mass
422.6 g/mol
Monoisotopic mass
422.25694295
Names & identifiers
Preferred name
(5,5-Dimethyl-8-propan-2-ylchromeno[4,3-c]pyridin-10-yl) 4-piperidin-1-ylbutanoate
IUPAC
(5,5-dimethyl-8-propan-2-ylchromeno[4,3-c]pyridin-10-yl) 4-piperidin-1-ylbutanoate
Database identifiers
PubChem CID
20287906
Properties
Computed structural properties
XLogP
4.7
Topological polar surface area
51.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
Formal charge
0
Complexity
601
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Related reactions
1 records
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As product
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As solvent
HRID
152233
As product
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Compound notes
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