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

C8H10F3N3O — CID 82184350

IUPAC2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2CCNCC2)o1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)7-14-13-6(15-7)5-1-3-12-4-2-5/h5,12H,1-4H2
InChIKeyBCCICRHQTROSEA-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.56
Rot. Bonds1

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

2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 82184350) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID82184350
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)(F)c1nnc(C2CCNCC2)o1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)7-14-13-6(15-7)5-1-3-12-4-2-5/h5,12H,1-4H2
InChIKeyBCCICRHQTROSEA-UHFFFAOYSA-N
XLogP1.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Methyl-1,3,4-oxadiazol-2-yl)piperidine
CID 19029146
4-(5-(difluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2(1H)-one
CID 167844920
2-Methyl-5-(piperidin-4-yl)-1,3,4-oxadiazole hydrochloride
CID 24950369
4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)pyridin-2(1H)-one
CID 167844919
Cyclopropyl(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)methanone
CID 71792951
N-methyl-2-(4-(5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetamide
CID 71793492
4-(1,3,4-Oxadiazol-2-yl)piperidine
CID 28269123
1-(4-(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)ethanone
CID 71792950
2-(4-(5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl)piperidin-1-yl)acetonitrile
CID 71793474
4-[5-(Trifluoromethyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbaldehyde
CID 117773349
2-(1-Tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 157377532
2-(Difluoromethyl)-5-piperidin-4-yl-1,3,4-oxadiazole
CID 168026018

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 82184350) is 2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole is FC(F)(F)c1nnc(C2CCNCC2)o1.
What is the InChIKey of 2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is BCCICRHQTROSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)7-14-13-6(15-7)5-1-3-12-4-2-5/h5,12H,1-4H2.
What are the key properties of 2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 221.18 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yl-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 82184350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).