2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine

C13H16F2N2 — CID 171542202

IUPAC2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine
SMILESC=Cc1cc(C)cc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H16F2N2/c1-3-11-8-10(2)9-12(16-11)17-6-4-13(14,15)5-7-17/h3,8-9H,1,4-7H2,2H3
InChIKeyMFOTYDGGSXAZAJ-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.27
Rot. Bonds2

About 2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine

2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine (PubChem CID 171542202) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine
PubChem CID171542202
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine
SMILESC=Cc1cc(C)cc(N2CCC(F)(F)CC2)n1
InChIInChI=1S/C13H16F2N2/c1-3-11-8-10(2)9-12(16-11)17-6-4-13(14,15)5-7-17/h3,8-9H,1,4-7H2,2H3
InChIKeyMFOTYDGGSXAZAJ-UHFFFAOYSA-N
XLogP3.27
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine (CID 171542202) is 2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine is C=Cc1cc(C)cc(N2CCC(F)(F)CC2)n1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine?
The InChIKey is MFOTYDGGSXAZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2/c1-3-11-8-10(2)9-12(16-11)17-6-4-13(14,15)5-7-17/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine?
2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine has a molecular weight of 238.28 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-6-ethenyl-4-methylpyridine is sourced from PubChem (CID 171542202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).