2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

C14H15F3N4O — CID 71793477

IUPAC2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2CCN(Cc3ccccn3)CC2)o1
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)13-20-19-12(22-13)10-4-7-21(8-5-10)9-11-3-1-2-6-18-11/h1-3,6,10H,4-5,7-9H2
InChIKeyCFZVSKPTPOSXSB-UHFFFAOYSA-N
MW312.29 g/mol
LogP2.86
Rot. Bonds3

About 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole

2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 71793477) has the molecular formula C14H15F3N4O and a molecular weight of 312.29 g/mol. Its IUPAC name is 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID71793477
Molecular FormulaC14H15F3N4O
Molecular Weight312.29 g/mol
Exact Mass312.12
IUPAC Name2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2CCN(Cc3ccccn3)CC2)o1
InChIInChI=1S/C14H15F3N4O/c15-14(16,17)13-20-19-12(22-13)10-4-7-21(8-5-10)9-11-3-1-2-6-18-11/h1-3,6,10H,4-5,7-9H2
InChIKeyCFZVSKPTPOSXSB-UHFFFAOYSA-N
XLogP2.86
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 71793477) is 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(C2CCN(Cc3ccccn3)CC2)o1.
What is the InChIKey of 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is CFZVSKPTPOSXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c15-14(16,17)13-20-19-12(22-13)10-4-7-21(8-5-10)9-11-3-1-2-6-18-11/h1-3,6,10H,4-5,7-9H2.
What are the key properties of 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 312.29 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71793477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).