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Compound
Ethyl 1-[2-(3,3-diphenylprop-2-enoxy)ethyl]piperidine-3-carboxylate
HCID
10596759
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Basic information
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Properties
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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
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HRID
2159050
As product
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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