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

C9H13F3N4 — CID 174287842

IUPAC4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine
SMILESFC(F)(F)c1cn(CC2CCNCC2)nn1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-6-16(15-14-8)5-7-1-3-13-4-2-7/h6-7,13H,1-5H2
InChIKeyGDLXMZZCWZWPCW-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.30
Rot. Bonds2

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

4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine (PubChem CID 174287842) has the molecular formula C9H13F3N4 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine
PubChem CID174287842
Molecular FormulaC9H13F3N4
Molecular Weight234.22 g/mol
Exact Mass234.11
IUPAC Name4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine
SMILESFC(F)(F)c1cn(CC2CCNCC2)nn1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8-6-16(15-14-8)5-7-1-3-13-4-2-7/h6-7,13H,1-5H2
InChIKeyGDLXMZZCWZWPCW-UHFFFAOYSA-N
XLogP1.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine?
The IUPAC name of 4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine (CID 174287842) is 4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine.
What is the SMILES notation for 4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine?
The canonical SMILES for 4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine is FC(F)(F)c1cn(CC2CCNCC2)nn1.
What is the InChIKey of 4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine?
The InChIKey is GDLXMZZCWZWPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)8-6-16(15-14-8)5-7-1-3-13-4-2-7/h6-7,13H,1-5H2.
What are the key properties of 4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine?
4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine has a molecular weight of 234.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(trifluoromethyl)triazol-1-yl]methyl]piperidine is sourced from PubChem (CID 174287842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).