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

C12H15F3N6 — CID 70747380

IUPAC4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine
SMILESFC(F)(F)Cn1ccnc1-c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H15F3N6/c13-12(14,15)8-20-6-5-17-11(20)10-7-21(19-18-10)9-1-3-16-4-2-9/h5-7,9,16H,1-4,8H2
InChIKeyVSACKHLMKOISQF-UHFFFAOYSA-N
MW300.29 g/mol
LogP1.63
Rot. Bonds3

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

4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine (PubChem CID 70747380) has the molecular formula C12H15F3N6 and a molecular weight of 300.29 g/mol. Its IUPAC name is 4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine.

Molecular Properties

Compound Name4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine
PubChem CID70747380
Molecular FormulaC12H15F3N6
Molecular Weight300.29 g/mol
Exact Mass300.13
IUPAC Name4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine
SMILESFC(F)(F)Cn1ccnc1-c1cn(C2CCNCC2)nn1
InChIInChI=1S/C12H15F3N6/c13-12(14,15)8-20-6-5-17-11(20)10-7-21(19-18-10)9-1-3-16-4-2-9/h5-7,9,16H,1-4,8H2
InChIKeyVSACKHLMKOISQF-UHFFFAOYSA-N
XLogP1.63
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine?
The IUPAC name of 4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine (CID 70747380) is 4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine.
What is the SMILES notation for 4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine?
The canonical SMILES for 4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine is FC(F)(F)Cn1ccnc1-c1cn(C2CCNCC2)nn1.
What is the InChIKey of 4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine?
The InChIKey is VSACKHLMKOISQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N6/c13-12(14,15)8-20-6-5-17-11(20)10-7-21(19-18-10)9-1-3-16-4-2-9/h5-7,9,16H,1-4,8H2.
What are the key properties of 4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine?
4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine has a molecular weight of 300.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]triazol-1-yl]piperidine is sourced from PubChem (CID 70747380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).