2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine

C15H22F3N7 — CID 131890908

IUPAC2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine
SMILESCCc1nc(-c2cn(CCC3CCCCN3)nn2)n(CC(F)(F)F)n1
InChIInChI=1S/C15H22F3N7/c1-2-13-20-14(25(22-13)10-15(16,17)18)12-9-24(23-21-12)8-6-11-5-3-4-7-19-11/h9,11,19H,2-8,10H2,1H3
InChIKeyBMPBBJKEGPVAHX-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.19
Rot. Bonds6

About 2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine

2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine (PubChem CID 131890908) has the molecular formula C15H22F3N7 and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine
PubChem CID131890908
Molecular FormulaC15H22F3N7
Molecular Weight357.38 g/mol
Exact Mass357.19
IUPAC Name2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine
SMILESCCc1nc(-c2cn(CCC3CCCCN3)nn2)n(CC(F)(F)F)n1
InChIInChI=1S/C15H22F3N7/c1-2-13-20-14(25(22-13)10-15(16,17)18)12-9-24(23-21-12)8-6-11-5-3-4-7-19-11/h9,11,19H,2-8,10H2,1H3
InChIKeyBMPBBJKEGPVAHX-UHFFFAOYSA-N
XLogP2.19
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine?
The IUPAC name of 2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine (CID 131890908) is 2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine?
The canonical SMILES for 2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine is CCc1nc(-c2cn(CCC3CCCCN3)nn2)n(CC(F)(F)F)n1.
What is the InChIKey of 2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine?
The InChIKey is BMPBBJKEGPVAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N7/c1-2-13-20-14(25(22-13)10-15(16,17)18)12-9-24(23-21-12)8-6-11-5-3-4-7-19-11/h9,11,19H,2-8,10H2,1H3.
What are the key properties of 2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine?
2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine has a molecular weight of 357.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[5-ethyl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]triazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 131890908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).