1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine

C17H21F3N4O — CID 170636560

IUPAC1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine
SMILESFC(F)(F)c1ccccc1OCc1cn(CCN2CCCCC2)nn1
InChIInChI=1S/C17H21F3N4O/c18-17(19,20)15-6-2-3-7-16(15)25-13-14-12-24(22-21-14)11-10-23-8-4-1-5-9-23/h2-3,6-7,12H,1,4-5,8-11,13H2
InChIKeyPXZHQTHBOIRQPP-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.36
Rot. Bonds6

About 1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine

1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine (PubChem CID 170636560) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine
PubChem CID170636560
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC Name1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine
SMILESFC(F)(F)c1ccccc1OCc1cn(CCN2CCCCC2)nn1
InChIInChI=1S/C17H21F3N4O/c18-17(19,20)15-6-2-3-7-16(15)25-13-14-12-24(22-21-14)11-10-23-8-4-1-5-9-23/h2-3,6-7,12H,1,4-5,8-11,13H2
InChIKeyPXZHQTHBOIRQPP-UHFFFAOYSA-N
XLogP3.36
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine?
The IUPAC name of 1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine (CID 170636560) is 1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine is FC(F)(F)c1ccccc1OCc1cn(CCN2CCCCC2)nn1.
What is the InChIKey of 1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine?
The InChIKey is PXZHQTHBOIRQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c18-17(19,20)15-6-2-3-7-16(15)25-13-14-12-24(22-21-14)11-10-23-8-4-1-5-9-23/h2-3,6-7,12H,1,4-5,8-11,13H2.
What are the key properties of 1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine?
1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine has a molecular weight of 354.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[[2-(trifluoromethyl)phenoxy]methyl]triazol-1-yl]ethyl]piperidine is sourced from PubChem (CID 170636560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).