(E)-tert-Butyl 4-((2-chloro-5-(3-methoxyprop-1-enyl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate

HCID 59613503
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
COC/C=C/c1cnc(Cl)cc1NCC1CCN(C(=O)OC(C)(C)C)CC1
InChIKey
IEAXUHYXTNYQGH-AATRIKPKSA-N
Molecular formula
C20H30ClN3O3
Average molar mass
395.9 g/mol
Monoisotopic mass
395.1975695

Names & identifiers

Preferred name
(E)-tert-Butyl 4-((2-chloro-5-(3-methoxyprop-1-enyl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-[[[2-chloro-5-[(E)-3-methoxyprop-1-enyl]-4-pyridinyl]amino]methyl]piperidine-1-carboxylate

Names & synonyms

SCHEMBL619900IEAXUHYXTNYQGH-AATRIKPKSA-N(E)-tert-Butyl 4-((2-chloro-5-(3-methoxyprop-1-enyl)pyridin-4-ylamino)methyl)piperidine-1-carboxylate

Database identifiers

PubChem CID
59613503

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
63.7 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

Loading…