1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine

C12H19F3N4O — CID 131905368

IUPAC1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCCN1CCCC(c2ncnn2CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N4O/c1-20-6-5-18-4-2-3-10(7-18)11-16-9-17-19(11)8-12(13,14)15/h9-10H,2-8H2,1H3
InChIKeyHLHWCAVAIXUAFH-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.67
Rot. Bonds5

About 1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine

1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine (PubChem CID 131905368) has the molecular formula C12H19F3N4O and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine
PubChem CID131905368
Molecular FormulaC12H19F3N4O
Molecular Weight292.30 g/mol
Exact Mass292.15
IUPAC Name1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine
SMILESCOCCN1CCCC(c2ncnn2CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N4O/c1-20-6-5-18-4-2-3-10(7-18)11-16-9-17-19(11)8-12(13,14)15/h9-10H,2-8H2,1H3
InChIKeyHLHWCAVAIXUAFH-UHFFFAOYSA-N
XLogP1.67
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine (CID 131905368) is 1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine is COCCN1CCCC(c2ncnn2CC(F)(F)F)C1.
What is the InChIKey of 1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine?
The InChIKey is HLHWCAVAIXUAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-20-6-5-18-4-2-3-10(7-18)11-16-9-17-19(11)8-12(13,14)15/h9-10H,2-8H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine?
1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine has a molecular weight of 292.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-[2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 131905368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).