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Ethyl 1-[2-(3,3-diphenylprop-2-enoxy)ethyl]piperidine-3-carboxylate

HCID 10596759
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Basic information

Standard SMILES
CCOC(=O)C1CCCN(CCOCC=C(c2ccccc2)c2ccccc2)C1
InChIKey
ARMPBGXUJWUHNZ-UHFFFAOYSA-N
Molecular formula
C25H31NO3
Average molar mass
393.5 g/mol

Names & identifiers

Preferred name
Ethyl 1-[2-(3,3-diphenylprop-2-enoxy)ethyl]piperidine-3-carboxylate
IUPAC
ethyl 1-[2-(3,3-diphenylprop-2-enoxy)ethyl]piperidine-3-carboxylate

Names & synonyms

SCHEMBL7925412

Database identifiers

PubChem CID
10596759

Properties

Computed structural properties

XLogP
4.9
Topological polar surface area
38.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
29
Formal charge
0
Complexity
486

Related reactions

1 records
New reaction record
HRID 2159050 reaction equation
HRID 2159050As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

Compound notes

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