Tert-butyl 3-[(2,3-difluorophenyl)-(2-methylsulfonyloxyethoxy)methyl]piperidine-1-carboxylate

HCID 72529612
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCCC(C(OCCOS(C)(=O)=O)c2cccc(F)c2F)C1
InChIKey
ABUXHVZFJHTXHD-UHFFFAOYSA-N
Molecular formula
C20H29F2NO6S
Average molar mass
449.5 g/mol
Monoisotopic mass
449.16836514

Names & identifiers

Preferred name
Tert-butyl 3-[(2,3-difluorophenyl)-(2-methylsulfonyloxyethoxy)methyl]piperidine-1-carboxylate
IUPAC
tert-butyl 3-[(2,3-difluorophenyl)-(2-methylsulfonyloxyethoxy)methyl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL3614566

Database identifiers

PubChem CID
72529612

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
90.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
30

Related reactions

2 records
New reaction record

Linked notes

Loading…