4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine

C22H23F3N4O — CID 162364901

IUPAC4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
SMILESFC(F)(F)Oc1ccc(-c2n[nH]c(CN3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)30-19-8-6-18(7-9-19)21-26-20(27-28-21)15-29-12-10-17(11-13-29)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,26,27,28)
InChIKeyTZVJANRDSMFGPJ-UHFFFAOYSA-N
MW416.45 g/mol
LogP4.82
Rot. Bonds6

About 4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine

4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine (PubChem CID 162364901) has the molecular formula C22H23F3N4O and a molecular weight of 416.45 g/mol. Its IUPAC name is 4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
PubChem CID162364901
Molecular FormulaC22H23F3N4O
Molecular Weight416.45 g/mol
Exact Mass416.18
IUPAC Name4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
SMILESFC(F)(F)Oc1ccc(-c2n[nH]c(CN3CCC(Cc4ccccc4)CC3)n2)cc1
InChIInChI=1S/C22H23F3N4O/c23-22(24,25)30-19-8-6-18(7-9-19)21-26-20(27-28-21)15-29-12-10-17(11-13-29)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,26,27,28)
InChIKeyTZVJANRDSMFGPJ-UHFFFAOYSA-N
XLogP4.82
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzyl-1-[[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 162364883
4-[(3,4-dichlorophenyl)methyl]-1-[[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine
CID 162364899
2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-6-fluoro-1H-indole
CID 162364827
2-[5-[(4-benzylpiperidin-1-yl)methyl]-1H-1,2,4-triazol-3-yl]-1H-indol-5-amine
CID 162364831
2-[(4-benzylpiperidin-1-yl)methyl]-6-methoxy-1H-benzimidazole
CID 11325148
5-(cyclobutylmethyl)-3-phenyl-1H-1,2,4-triazole
CID 103164431
2-[(4-benzylpiperidin-1-yl)methyl]-1H-benzimidazole;methane
CID 142062604
2-[(4-benzylpiperidin-1-yl)methyl]-6-(4-methoxyphenyl)pyridazin-3-one
CID 11280723
4-ethyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidine
CID 118331263
1-[(4-benzylpiperidin-1-yl)methyl]-3-[4-(trifluoromethoxy)phenyl]iminoindol-2-one
CID 3995392
1-benzyl-4-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidine
CID 141321764
2-[5-[[4-[(3,4-dichlorophenyl)methyl]piperidin-1-yl]methyl]-1H-1,2,4-triazol-3-yl]-1H-indole
CID 162364860

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine?
The IUPAC name of 4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine (CID 162364901) is 4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine.
What is the SMILES notation for 4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine?
The canonical SMILES for 4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine is FC(F)(F)Oc1ccc(-c2n[nH]c(CN3CCC(Cc4ccccc4)CC3)n2)cc1.
What is the InChIKey of 4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine?
The InChIKey is TZVJANRDSMFGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O/c23-22(24,25)30-19-8-6-18(7-9-19)21-26-20(27-28-21)15-29-12-10-17(11-13-29)14-16-4-2-1-3-5-16/h1-9,17H,10-15H2,(H,26,27,28).
What are the key properties of 4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine?
4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine has a molecular weight of 416.45 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[[3-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]methyl]piperidine is sourced from PubChem (CID 162364901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).