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

C11H18N2O — CID 15742428

IUPAC3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine
SMILESCOC1CC=C(C2=CNCCC2)NC1
InChIInChI=1S/C11H18N2O/c1-14-10-4-5-11(13-8-10)9-3-2-6-12-7-9/h5,7,10,12-13H,2-4,6,8H2,1H3
InChIKeyYPZGQHMULJYTTC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.15
Rot. Bonds2

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

3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine (PubChem CID 15742428) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine
PubChem CID15742428
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine
SMILESCOC1CC=C(C2=CNCCC2)NC1
InChIInChI=1S/C11H18N2O/c1-14-10-4-5-11(13-8-10)9-3-2-6-12-7-9/h5,7,10,12-13H,2-4,6,8H2,1H3
InChIKeyYPZGQHMULJYTTC-UHFFFAOYSA-N
XLogP1.15
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine?
The IUPAC name of 3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine (CID 15742428) is 3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine is COC1CC=C(C2=CNCCC2)NC1.
What is the InChIKey of 3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine?
The InChIKey is YPZGQHMULJYTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-14-10-4-5-11(13-8-10)9-3-2-6-12-7-9/h5,7,10,12-13H,2-4,6,8H2,1H3.
What are the key properties of 3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine?
3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine has a molecular weight of 194.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-(1,2,3,4-tetrahydropyridin-5-yl)-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 15742428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).