2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone

C11H15F3N4O — CID 55092207

IUPAC2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone
SMILESO=C(c1cn(CCN2CCCCC2)nn1)C(F)(F)F
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10(19)9-8-18(16-15-9)7-6-17-4-2-1-3-5-17/h8H,1-7H2
InChIKeyWIYVRAPUKIBFSS-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.51
Rot. Bonds4

About 2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone

2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone (PubChem CID 55092207) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone
PubChem CID55092207
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone
SMILESO=C(c1cn(CCN2CCCCC2)nn1)C(F)(F)F
InChIInChI=1S/C11H15F3N4O/c12-11(13,14)10(19)9-8-18(16-15-9)7-6-17-4-2-1-3-5-17/h8H,1-7H2
InChIKeyWIYVRAPUKIBFSS-UHFFFAOYSA-N
XLogP1.51
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone (CID 55092207) is 2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone is O=C(c1cn(CCN2CCCCC2)nn1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone?
The InChIKey is WIYVRAPUKIBFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c12-11(13,14)10(19)9-8-18(16-15-9)7-6-17-4-2-1-3-5-17/h8H,1-7H2.
What are the key properties of 2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone?
2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone has a molecular weight of 276.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[1-(2-piperidin-1-ylethyl)triazol-4-yl]ethanone is sourced from PubChem (CID 55092207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).