tert-butyl (3RS,4RS)-4-(4-cyano-phenyl)-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate

HCID 86604393
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccc(C#N)cc2)C(OCc2ccc3ccccc3c2)C1
InChIKey
IIGLILRPFNRFGZ-UHFFFAOYSA-N
Molecular formula
C28H30N2O3
Average molar mass
442.5 g/mol
Monoisotopic mass
442.22564282

Names & identifiers

Preferred name
tert-butyl (3RS,4RS)-4-(4-cyano-phenyl)-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate
IUPAC
tert-butyl 4-(4-cyanophenyl)-3-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate

Names & synonyms

IIGLILRPFNRFGZ-UHFFFAOYSA-Ntert-butyl (3RS,4RS)-4-(4-cyano-phenyl)-3-(naphthalen-2-ylmethoxy)-piperidine-1-carboxylate

Database identifiers

PubChem CID
86604393

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
62.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
6
Heavy atoms
33

Related reactions

5 records
New reaction record

Compound notes

Loading…