Tert-butyl 4-((2-chloro-5-(4-methoxyphenyl)pyridin-4-ylamino)methyl)-4-fluoropiperidine-1-carboxylate

HCID 59613485
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(-c2cnc(Cl)cc2NCC2(F)CCN(C(=O)OC(C)(C)C)CC2)cc1
InChIKey
KBFSWLOUJRAHFA-UHFFFAOYSA-N
Molecular formula
C23H29ClFN3O3
Average molar mass
449.9 g/mol
Monoisotopic mass
449.1881477

Names & identifiers

Preferred name
Tert-butyl 4-((2-chloro-5-(4-methoxyphenyl)pyridin-4-ylamino)methyl)-4-fluoropiperidine-1-carboxylate
IUPAC
tert-butyl 4-[[[2-chloro-5-(4-methoxyphenyl)-4-pyridinyl]amino]methyl]-4-fluoropiperidine-1-carboxylate

Names & synonyms

SCHEMBL618542KBFSWLOUJRAHFA-UHFFFAOYSA-Ntert-butyl 4-((2-chloro-5-(4-methoxyphenyl)pyridin-4-ylamino)methyl)-4-fluoropiperidine-1-carboxylate

Database identifiers

PubChem CID
59613485

Properties

Computed structural properties

XLogP
5
Topological polar surface area
63.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
31

Related reactions

6 records
New reaction record

Compound notes

Loading…