2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

C9H12F3N3O — CID 83959782

IUPAC2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CCCCC2)o1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8-14-13-7(16-8)6-15-4-2-1-3-5-15/h1-6H2
InChIKeyOJXZKGBJRQIFOW-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.07
Rot. Bonds2

About 2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole

2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 83959782) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID83959782
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(CN2CCCCC2)o1
InChIInChI=1S/C9H12F3N3O/c10-9(11,12)8-14-13-7(16-8)6-15-4-2-1-3-5-15/h1-6H2
InChIKeyOJXZKGBJRQIFOW-UHFFFAOYSA-N
XLogP2.07
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 83959782) is 2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(CN2CCCCC2)o1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is OJXZKGBJRQIFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c10-9(11,12)8-14-13-7(16-8)6-15-4-2-1-3-5-15/h1-6H2.
What are the key properties of 2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 235.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 83959782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).