3-Phenylpropyl 4-(2-(1-piperidinyl)ethoxy)acetoacetate

HCID 22005512
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Basic information

Standard SMILES
O=C(COCCN1CCCCC1)CC(=O)OCCCc1ccccc1
InChIKey
VTGNQUXDMNISJB-UHFFFAOYSA-N
Molecular formula
C20H29NO4
Average molar mass
347.4 g/mol

Names & identifiers

Preferred name
3-Phenylpropyl 4-(2-(1-piperidinyl)ethoxy)acetoacetate
IUPAC
3-phenylpropyl 3-oxo-4-(2-piperidin-1-ylethoxy)butanoate

Names & synonyms

SCHEMBL7373567VTGNQUXDMNISJB-UHFFFAOYSA-N3-phenylpropyl 4-(2-(1-piperidinyl)ethoxy)acetoacetate

Database identifiers

PubChem CID
22005512

Properties

Computed structural properties

XLogP
3
Topological polar surface area
55.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
12
Heavy atoms
25

Related reactions

11 records
New reaction record

Linked notes

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