4-[1-Carboxy-2-(4-fluoro-phenyl)-ethyl]-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester

HCID 57458011

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(O)(C(Cc2ccc(F)cc2)C(=O)O)CC1
InChIKey
NCSZCBKQEFNUDQ-UHFFFAOYSA-N
Molecular formula
C19H26FNO5
Average molar mass
367.4 g/mol
Monoisotopic mass
367.17950109

Names & identifiers

Preferred name
4-[1-Carboxy-2-(4-fluoro-phenyl)-ethyl]-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester
IUPAC
3-(4-fluorophenyl)-2-[4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propanoic acid

Names & synonyms

SCHEMBL2768600NCSZCBKQEFNUDQ-UHFFFAOYSA-N4-[1-Carboxy-2-(4-fluoro-phenyl)-ethyl]-4-hydroxy-piperidine-1-carboxylic acid tert-butyl ester4-[1-Carboxy-2-(4-fluoro-phenyl)-ethyl]-4-hydroxypiperidine-1-carboxylic acid tert-butyl ester

Database identifiers

PubChem CID
57458011

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
87.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
26

Related reactions

7 records

Linked notes

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