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

C12H18F3N3O — CID 157377532

IUPAC2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCC(C)(C)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C12H18F3N3O/c1-11(2,3)18-6-4-8(5-7-18)9-16-17-10(19-9)12(13,14)15/h8H,4-7H2,1-3H3
InChIKeyBKMLPTBJKCZGGU-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.07
Rot. Bonds1

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

2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 157377532) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID157377532
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCC(C)(C)N1CCC(c2nnc(C(F)(F)F)o2)CC1
InChIInChI=1S/C12H18F3N3O/c1-11(2,3)18-6-4-8(5-7-18)9-16-17-10(19-9)12(13,14)15/h8H,4-7H2,1-3H3
InChIKeyBKMLPTBJKCZGGU-UHFFFAOYSA-N
XLogP3.07
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 157377532) is 2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole is CC(C)(C)N1CCC(c2nnc(C(F)(F)F)o2)CC1.
What is the InChIKey of 2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is BKMLPTBJKCZGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-11(2,3)18-6-4-8(5-7-18)9-16-17-10(19-9)12(13,14)15/h8H,4-7H2,1-3H3.
What are the key properties of 2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 277.29 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylpiperidin-4-yl)-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 157377532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).