K8O

6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine

Created:	2022-02-03
Last modified:	2022-07-13

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3 entries where K8O is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	36
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	6

2D diagram of K8O

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Chemical Component Summary
Name	6-[3-(4,4-difluoropiperidin-1-yl)prop-1-yn-1-yl]-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[3-[4,4-bis(fluoranyl)piperidin-1-yl]prop-1-ynyl]-4-methyl-pyridin-2-amine
Formula	C₁₄ H₁₇ F₂ N₃
Molecular Weight	265.302
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc(C#CCN2CCC(F)(F)CC2)nc(N)c1
SMILES	CACTVS	3.385	Cc1cc(N)nc(c1)C#CCN2CCC(F)(F)CC2
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)C#CCN2CCC(CC2)(F)F
Canonical SMILES	CACTVS	3.385	Cc1cc(N)nc(c1)C#CCN2CCC(F)(F)CC2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)C#CCN2CCC(CC2)(F)F
InChI	InChI	1.03	InChI=1S/C14H17F2N3/c1-11-9-12(18-13(17)10-11)3-2-6-19-7-4-14(15,16)5-8-19/h9-10H,4-8H2,1H3,(H2,17,18)
InChIKey	InChI	1.03	SHKLMOHQZBDLIM-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	164513484

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.