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

C8H11ClF3N3O — CID 71298935

IUPAC3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.FC(F)(F)c1nc(C2CCNCC2)no1
InChIInChI=1S/C8H10F3N3O.ClH/c9-8(10,11)7-13-6(14-15-7)5-1-3-12-4-2-5;/h5,12H,1-4H2;1H
InChIKeyRKBFITVLOJEHQZ-UHFFFAOYSA-N
MW257.64 g/mol
LogP1.98
Rot. Bonds1

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

3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride (PubChem CID 71298935) has the molecular formula C8H11ClF3N3O and a molecular weight of 257.64 g/mol. Its IUPAC name is 3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride
PubChem CID71298935
Molecular FormulaC8H11ClF3N3O
Molecular Weight257.64 g/mol
Exact Mass257.05
IUPAC Name3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride
SMILESCl.FC(F)(F)c1nc(C2CCNCC2)no1
InChIInChI=1S/C8H10F3N3O.ClH/c9-8(10,11)7-13-6(14-15-7)5-1-3-12-4-2-5;/h5,12H,1-4H2;1H
InChIKeyRKBFITVLOJEHQZ-UHFFFAOYSA-N
XLogP1.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride (CID 71298935) is 3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride is Cl.FC(F)(F)c1nc(C2CCNCC2)no1.
What is the InChIKey of 3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride?
The InChIKey is RKBFITVLOJEHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O.ClH/c9-8(10,11)7-13-6(14-15-7)5-1-3-12-4-2-5;/h5,12H,1-4H2;1H.
What are the key properties of 3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride?
3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride has a molecular weight of 257.64 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-5-(trifluoromethyl)-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 71298935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).