3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine

C16H19F3N4O — CID 53192673

IUPAC3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESCn1cnnc1C1CCCN(Cc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C16H19F3N4O/c1-22-11-20-21-15(22)13-6-4-8-23(10-13)9-12-5-2-3-7-14(12)24-16(17,18)19/h2-3,5,7,11,13H,4,6,8-10H2,1H3
InChIKeyMAZBMSNMNUXKHU-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.09
Rot. Bonds4

About 3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine

3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine (PubChem CID 53192673) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine.

Molecular Properties

Compound Name3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine
PubChem CID53192673
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine
SMILESCn1cnnc1C1CCCN(Cc2ccccc2OC(F)(F)F)C1
InChIInChI=1S/C16H19F3N4O/c1-22-11-20-21-15(22)13-6-4-8-23(10-13)9-12-5-2-3-7-14(12)24-16(17,18)19/h2-3,5,7,11,13H,4,6,8-10H2,1H3
InChIKeyMAZBMSNMNUXKHU-UHFFFAOYSA-N
XLogP3.09
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine?
The IUPAC name of 3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine (CID 53192673) is 3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine.
What is the SMILES notation for 3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine?
The canonical SMILES for 3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine is Cn1cnnc1C1CCCN(Cc2ccccc2OC(F)(F)F)C1.
What is the InChIKey of 3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine?
The InChIKey is MAZBMSNMNUXKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-22-11-20-21-15(22)13-6-4-8-23(10-13)9-12-5-2-3-7-14(12)24-16(17,18)19/h2-3,5,7,11,13H,4,6,8-10H2,1H3.
What are the key properties of 3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine?
3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine has a molecular weight of 340.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-1,2,4-triazol-3-yl)-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidine is sourced from PubChem (CID 53192673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).