3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine

C13H18N2O2 — CID 70903501

IUPAC3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine
SMILESCC1OC(c2cncc(C3CCNCC3)c2)O1
InChIInChI=1S/C13H18N2O2/c1-9-16-13(17-9)12-6-11(7-15-8-12)10-2-4-14-5-3-10/h6-10,13-14H,2-5H2,1H3
InChIKeyAHOTVOQUGXSUEI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.94
Rot. Bonds2

About 3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine

3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine (PubChem CID 70903501) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine.

Molecular Properties

Compound Name3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine
PubChem CID70903501
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine
SMILESCC1OC(c2cncc(C3CCNCC3)c2)O1
InChIInChI=1S/C13H18N2O2/c1-9-16-13(17-9)12-6-11(7-15-8-12)10-2-4-14-5-3-10/h6-10,13-14H,2-5H2,1H3
InChIKeyAHOTVOQUGXSUEI-UHFFFAOYSA-N
XLogP1.94
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine?
The IUPAC name of 3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine (CID 70903501) is 3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine.
What is the SMILES notation for 3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine?
The canonical SMILES for 3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine is CC1OC(c2cncc(C3CCNCC3)c2)O1.
What is the InChIKey of 3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine?
The InChIKey is AHOTVOQUGXSUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-16-13(17-9)12-6-11(7-15-8-12)10-2-4-14-5-3-10/h6-10,13-14H,2-5H2,1H3.
What are the key properties of 3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine?
3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine has a molecular weight of 234.30 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,3-dioxetan-2-yl)-5-piperidin-4-ylpyridine is sourced from PubChem (CID 70903501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).