3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine

C10H15F3N4O — CID 114510229

IUPAC3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine
SMILESCCC1CNCCC1(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-2-6-5-15-4-3-9(6,14)7-16-8(18-17-7)10(11,12)13/h6,15H,2-5,14H2,1H3
InChIKeySOOBQPYYTGZJHV-UHFFFAOYSA-N
MW264.25 g/mol
LogP1.26
Rot. Bonds2

About 3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine

3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine (PubChem CID 114510229) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is 3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine
PubChem CID114510229
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine
SMILESCCC1CNCCC1(N)c1noc(C(F)(F)F)n1
InChIInChI=1S/C10H15F3N4O/c1-2-6-5-15-4-3-9(6,14)7-16-8(18-17-7)10(11,12)13/h6,15H,2-5,14H2,1H3
InChIKeySOOBQPYYTGZJHV-UHFFFAOYSA-N
XLogP1.26
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine?
The IUPAC name of 3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine (CID 114510229) is 3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine.
What is the SMILES notation for 3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine?
The canonical SMILES for 3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine is CCC1CNCCC1(N)c1noc(C(F)(F)F)n1.
What is the InChIKey of 3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine?
The InChIKey is SOOBQPYYTGZJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-2-6-5-15-4-3-9(6,14)7-16-8(18-17-7)10(11,12)13/h6,15H,2-5,14H2,1H3.
What are the key properties of 3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine?
3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine has a molecular weight of 264.25 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]piperidin-4-amine is sourced from PubChem (CID 114510229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).