2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine

C11H17F3N4 — CID 106780142

IUPAC2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine
SMILESCCn1ncnc1CC1CCCC(C(F)(F)F)N1
InChIInChI=1S/C11H17F3N4/c1-2-18-10(15-7-16-18)6-8-4-3-5-9(17-8)11(12,13)14/h7-9,17H,2-6H2,1H3
InChIKeyMOCDHLWGTHWSCZ-UHFFFAOYSA-N
MW262.28 g/mol
LogP1.91
Rot. Bonds3

About 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine

2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine (PubChem CID 106780142) has the molecular formula C11H17F3N4 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine
PubChem CID106780142
Molecular FormulaC11H17F3N4
Molecular Weight262.28 g/mol
Exact Mass262.14
IUPAC Name2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine
SMILESCCn1ncnc1CC1CCCC(C(F)(F)F)N1
InChIInChI=1S/C11H17F3N4/c1-2-18-10(15-7-16-18)6-8-4-3-5-9(17-8)11(12,13)14/h7-9,17H,2-6H2,1H3
InChIKeyMOCDHLWGTHWSCZ-UHFFFAOYSA-N
XLogP1.91
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-[(2-propyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 106780231
2-(2-ethyl-1,2,4-triazol-3-yl)-1-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 105111466
[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclohexyl]methanamine
CID 81011017
5-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpiperidine
CID 106780163
N-[[2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027307
5-cyclobutyl-1-ethyl-1,2,4-triazole
CID 101129673
N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 102875127
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(2-methylcyclopentyl)ethanamine
CID 107189682
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclobutan-1-amine
CID 112564080
(2-ethyl-1,2,4-triazol-3-yl)methanol
CID 11412385
3-[2-(2-ethyl-1,2,4-triazol-3-yl)ethyl]piperidine
CID 62695306
3-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-fluorocyclopentan-1-amine
CID 112565739

Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine?
The IUPAC name of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine (CID 106780142) is 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine.
What is the SMILES notation for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine?
The canonical SMILES for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine is CCn1ncnc1CC1CCCC(C(F)(F)F)N1.
What is the InChIKey of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine?
The InChIKey is MOCDHLWGTHWSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4/c1-2-18-10(15-7-16-18)6-8-4-3-5-9(17-8)11(12,13)14/h7-9,17H,2-6H2,1H3.
What are the key properties of 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine?
2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine has a molecular weight of 262.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(trifluoromethyl)piperidine is sourced from PubChem (CID 106780142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).