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Compound
Ethyl 4-[benzyl(methyl)amino]-3-hydroxypiperidine-1-carboxylate
HCID
20071670
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Basic information
Standard SMILES
CCOC(=O)N1CCC(N(C)Cc2ccccc2)C(O)C1
InChIKey
FJZZGIANQBNRFG-UHFFFAOYSA-N
Molecular formula
C16H24N2O3
Average molar mass
292.37 g/mol
Names & identifiers
Preferred name
Ethyl 4-[benzyl(methyl)amino]-3-hydroxypiperidine-1-carboxylate
IUPAC
ethyl 4-[benzyl(methyl)amino]-3-hydroxypiperidine-1-carboxylate
Names & synonyms
SCHEMBL9789954
Database identifiers
PubChem CID
20071670
Properties
Computed structural properties
XLogP
1.6
Topological polar surface area
53 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
21
Formal charge
0
Complexity
331
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HRID
953303
As product
Validation data from https://doi.org/10.1039/C8SC04228D
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