2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine

C13H18N2O2 — CID 141316130

IUPAC2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine
SMILESCOC1=CCNC(c2cnc(OC)c(C)c2)C1
InChIInChI=1S/C13H18N2O2/c1-9-6-10(8-15-13(9)17-3)12-7-11(16-2)4-5-14-12/h4,6,8,12,14H,5,7H2,1-3H3
InChIKeyOKKCMKTUZWMRHB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.96
Rot. Bonds3

About 2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine

2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine (PubChem CID 141316130) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine.

Molecular Properties

Compound Name2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine
PubChem CID141316130
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine
SMILESCOC1=CCNC(c2cnc(OC)c(C)c2)C1
InChIInChI=1S/C13H18N2O2/c1-9-6-10(8-15-13(9)17-3)12-7-11(16-2)4-5-14-12/h4,6,8,12,14H,5,7H2,1-3H3
InChIKeyOKKCMKTUZWMRHB-UHFFFAOYSA-N
XLogP1.96
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine?
The IUPAC name of 2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine (CID 141316130) is 2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine.
What is the SMILES notation for 2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine?
The canonical SMILES for 2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine is COC1=CCNC(c2cnc(OC)c(C)c2)C1.
What is the InChIKey of 2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine?
The InChIKey is OKKCMKTUZWMRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-6-10(8-15-13(9)17-3)12-7-11(16-2)4-5-14-12/h4,6,8,12,14H,5,7H2,1-3H3.
What are the key properties of 2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine?
2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine has a molecular weight of 234.30 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methoxy-1,2,3,6-tetrahydropyridin-2-yl)-3-methylpyridine is sourced from PubChem (CID 141316130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).