6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine

C18H19F3N2O2 — CID 68594905

IUPAC6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine
SMILESCc1ccc(OCC2CCCNC2)c(Oc2c(F)cc(F)cc2F)n1
InChIInChI=1S/C18H19F3N2O2/c1-11-4-5-16(24-10-12-3-2-6-22-9-12)18(23-11)25-17-14(20)7-13(19)8-15(17)21/h4-5,7-8,12,22H,2-3,6,9-10H2,1H3
InChIKeyPXOWEHZNYKZAIZ-UHFFFAOYSA-N
MW352.36 g/mol
LogP3.98
Rot. Bonds5

About 6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine

6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine (PubChem CID 68594905) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine.

Molecular Properties

Compound Name6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine
PubChem CID68594905
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine
SMILESCc1ccc(OCC2CCCNC2)c(Oc2c(F)cc(F)cc2F)n1
InChIInChI=1S/C18H19F3N2O2/c1-11-4-5-16(24-10-12-3-2-6-22-9-12)18(23-11)25-17-14(20)7-13(19)8-15(17)21/h4-5,7-8,12,22H,2-3,6,9-10H2,1H3
InChIKeyPXOWEHZNYKZAIZ-UHFFFAOYSA-N
XLogP3.98
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine?
The IUPAC name of 6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine (CID 68594905) is 6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine.
What is the SMILES notation for 6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine?
The canonical SMILES for 6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine is Cc1ccc(OCC2CCCNC2)c(Oc2c(F)cc(F)cc2F)n1.
What is the InChIKey of 6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine?
The InChIKey is PXOWEHZNYKZAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c1-11-4-5-16(24-10-12-3-2-6-22-9-12)18(23-11)25-17-14(20)7-13(19)8-15(17)21/h4-5,7-8,12,22H,2-3,6,9-10H2,1H3.
What are the key properties of 6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine?
6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine has a molecular weight of 352.36 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(piperidin-3-ylmethoxy)-2-(2,4,6-trifluorophenoxy)pyridine is sourced from PubChem (CID 68594905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).