6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine

C12H15F2N3 — CID 156565881

IUPAC6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine
SMILESC=Cc1cc(N)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C12H15F2N3/c1-2-9-7-10(15)8-16-11(9)17-5-3-12(13,14)4-6-17/h2,7-8H,1,3-6,15H2
InChIKeyZQYCRRBSFKEFMZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.54
Rot. Bonds2

About 6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine

6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine (PubChem CID 156565881) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine.

Molecular Properties

Compound Name6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine
PubChem CID156565881
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine
SMILESC=Cc1cc(N)cnc1N1CCC(F)(F)CC1
InChIInChI=1S/C12H15F2N3/c1-2-9-7-10(15)8-16-11(9)17-5-3-12(13,14)4-6-17/h2,7-8H,1,3-6,15H2
InChIKeyZQYCRRBSFKEFMZ-UHFFFAOYSA-N
XLogP2.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine?
The IUPAC name of 6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine (CID 156565881) is 6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine.
What is the SMILES notation for 6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine?
The canonical SMILES for 6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine is C=Cc1cc(N)cnc1N1CCC(F)(F)CC1.
What is the InChIKey of 6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine?
The InChIKey is ZQYCRRBSFKEFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c1-2-9-7-10(15)8-16-11(9)17-5-3-12(13,14)4-6-17/h2,7-8H,1,3-6,15H2.
What are the key properties of 6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine?
6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine has a molecular weight of 239.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidin-1-yl)-5-ethenylpyridin-3-amine is sourced from PubChem (CID 156565881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).