6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine

C13H16F2N2 — CID 168665760

IUPAC6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine
SMILESC=Cc1ccc(N2CCC(F)(F)CC2)nc1C
InChIInChI=1S/C13H16F2N2/c1-3-11-4-5-12(16-10(11)2)17-8-6-13(14,15)7-9-17/h3-5H,1,6-9H2,2H3
InChIKeyTVVRBCXXGBXIJI-UHFFFAOYSA-N
MW238.28 g/mol
LogP3.27
Rot. Bonds2

About 6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine

6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine (PubChem CID 168665760) has the molecular formula C13H16F2N2 and a molecular weight of 238.28 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine
PubChem CID168665760
Molecular FormulaC13H16F2N2
Molecular Weight238.28 g/mol
Exact Mass238.13
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine
SMILESC=Cc1ccc(N2CCC(F)(F)CC2)nc1C
InChIInChI=1S/C13H16F2N2/c1-3-11-4-5-12(16-10(11)2)17-8-6-13(14,15)7-9-17/h3-5H,1,6-9H2,2H3
InChIKeyTVVRBCXXGBXIJI-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

Analyze 6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine (CID 168665760) is 6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine is C=Cc1ccc(N2CCC(F)(F)CC2)nc1C.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine?
The InChIKey is TVVRBCXXGBXIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2/c1-3-11-4-5-12(16-10(11)2)17-8-6-13(14,15)7-9-17/h3-5H,1,6-9H2,2H3.
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine?
6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-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 6-(4,4-difluoropiperidin-1-yl)-3-ethenyl-2-methylpyridine is sourced from PubChem (CID 168665760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).