tert-butyl 4-(2-(1H-1,2,4-triazol-1-yl)ethoxy)-4-(pyridin-3-yl)piperidine-1-carboxylate

HCID 57916248
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CCC(OCCn2cncn2)(c2cccnc2)CC1
InChIKey
NGHGLEZRRUPYTC-UHFFFAOYSA-N
Molecular formula
C19H27N5O3
Average molar mass
373.4 g/mol

Names & identifiers

Preferred name
tert-butyl 4-(2-(1H-1,2,4-triazol-1-yl)ethoxy)-4-(pyridin-3-yl)piperidine-1-carboxylate
IUPAC
tert-butyl 4-pyridin-3-yl-4-[2-(1,2,4-triazol-1-yl)ethoxy]piperidine-1-carboxylate

Names & synonyms

SCHEMBL4296274NGHGLEZRRUPYTC-UHFFFAOYSA-Ntert-butyl 4-(2-(1H-1,2,4-triazol-1-yl)ethoxy)-4-(pyridin-3-yl)piperidine-1-carboxylate

Database identifiers

PubChem CID
57916248

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
82.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

Loading…