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Ethyl 4-(2-(piperazin-1-yl)phenoxy)butanoate

HCID 57420183
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CCOC(=O)CCCOc1ccccc1N1CCNCC1
InChIKey
SKZUKTWFUUSNTP-UHFFFAOYSA-N
Molecular formula
C16H24N2O3
Average molar mass
292.37 g/mol
Monoisotopic mass
292.17869263

Names & identifiers

Preferred name
Ethyl 4-(2-(piperazin-1-yl)phenoxy)butanoate
IUPAC
ethyl 4-(2-piperazin-1-ylphenoxy)butanoate

Names & synonyms

SCHEMBL3157375SKZUKTWFUUSNTP-UHFFFAOYSA-Nethyl 4-(2-(piperazin-1-yl)phenoxy)butanoate

Database identifiers

PubChem CID
57420183

Properties

Computed structural properties

XLogP
1.9
Topological polar surface area
50.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
21
Formal charge
0
Complexity
306

Related reactions

3 records
New reaction record
HRID 812634 reaction equation
HRID 812634As reactantTest data from https://doi.org/10.1039/C8SC04228D
HRID 887068 reaction equation
HRID 887068As productuspto-grants-2012_08
HRID 887069 reaction equation
HRID 887069As reactantuspto-grants-2012_08

Compound notes

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