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Ethyl 2-[4-[2-(hydroxymethyl)-6-oxopiperidin-1-yl]but-2-enoxy]acetate

HCID 69025614
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Basic information

Standard SMILES
CCOC(=O)COCC=CCN1C(=O)CCCC1CO
InChIKey
PJQZJMSLIPBJBV-UHFFFAOYSA-N
Molecular formula
C14H23NO5
Average molar mass
285.34 g/mol

Names & identifiers

Preferred name
Ethyl 2-[4-[2-(hydroxymethyl)-6-oxopiperidin-1-yl]but-2-enoxy]acetate
IUPAC
ethyl 2-[4-[2-(hydroxymethyl)-6-oxopiperidin-1-yl]but-2-enoxy]acetate

Names & synonyms

SCHEMBL4389227

Database identifiers

PubChem CID
69025614

Properties

Computed structural properties

XLogP
0
Topological polar surface area
76.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
9
Heavy atoms
20
Formal charge
0
Complexity
342

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Related reactions

2 records
New reaction record
HRID 1228853 reaction equation
HRID 1228853As productTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID 2156459 reaction equation
HRID 2156459As reactantTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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