2-(azetidin-3-yloxy)-3-(tetrahydro-2H-pyran-4-yl)pyridine

HCID 58547765

Notes Reactions

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Basic information

Standard SMILES: c1cnc(OC2CNC2)c(C2CCOCC2)c1
InChIKey: DOZPJWXKJACDMM-UHFFFAOYSA-N
Molecular formula: C13H18N2O2
Average molar mass: 234.29 g/mol
Monoisotopic mass: 234.13682782

Names & identifiers

Preferred name: 2-(azetidin-3-yloxy)-3-(tetrahydro-2H-pyran-4-yl)pyridine
IUPAC: 2-(azetidin-3-yloxy)-3-(oxan-4-yl)pyridine

Names & synonyms

1350608-15-92-(azetidin-3-yloxy)-3-(tetrahydro-2H-pyran-4-yl)pyridineSCHEMBL2630829DOZPJWXKJACDMM-UHFFFAOYSA-NDA-117832-(AZETIDIN-3-YLOXY)-3-(TETRAHYDRO-2H-PYRAN-4-YL) PYRIDINE

Database identifiers

PubChem CID: 58547765

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 43.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 240

Related reactions

6 records

New reaction record

HRID 153153As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 196384As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 454908As productuspto-grants-2013_07

HRID 454951As reactantuspto-grants-2013_07

HRID 2207804As productuspto-grants-2016_06

HRID 2207849As reactantuspto-grants-2016_06

Compound notes

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