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

C15H17F3N4 — CID 82568363

IUPAC4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine
SMILESFC(F)(F)c1ccc(Cc2nc(C3CCNCC3)n[nH]2)cc1
InChIInChI=1S/C15H17F3N4/c16-15(17,18)12-3-1-10(2-4-12)9-13-20-14(22-21-13)11-5-7-19-8-6-11/h1-4,11,19H,5-9H2,(H,20,21,22)
InChIKeySETHFGZOAPWTAR-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.88
Rot. Bonds3

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

4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine (PubChem CID 82568363) has the molecular formula C15H17F3N4 and a molecular weight of 310.32 g/mol. Its IUPAC name is 4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine.

Molecular Properties

Compound Name4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine
PubChem CID82568363
Molecular FormulaC15H17F3N4
Molecular Weight310.32 g/mol
Exact Mass310.14
IUPAC Name4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine
SMILESFC(F)(F)c1ccc(Cc2nc(C3CCNCC3)n[nH]2)cc1
InChIInChI=1S/C15H17F3N4/c16-15(17,18)12-3-1-10(2-4-12)9-13-20-14(22-21-13)11-5-7-19-8-6-11/h1-4,11,19H,5-9H2,(H,20,21,22)
InChIKeySETHFGZOAPWTAR-UHFFFAOYSA-N
XLogP2.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[5-[(4-tert-butylphenyl)methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 82568364
4-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 61338923
4-[(3-cyclopentyl-1H-1,2,4-triazol-5-yl)methyl]pyridine
CID 61338891
5-[(4-bromophenyl)methyl]-3-cyclopentyl-1H-1,2,4-triazole
CID 61338319
3-ethyl-5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole
CID 62115238
3-cyclopropyl-5-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole
CID 66487223
4-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]piperidine
CID 82463437
5-pyrrolidin-3-yl-3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 115080894
5-[(4-fluorophenyl)methyl]-3-pyrrolidin-2-yl-1H-1,2,4-triazole
CID 16677923
4-[5-[(4-ethoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]piperidine
CID 131927834
ethyl 5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-3-carboxylate
CID 63381559
N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 43607110

Frequently Asked Questions

What is the IUPAC name of 4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine?
The IUPAC name of 4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine (CID 82568363) is 4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine.
What is the SMILES notation for 4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine?
The canonical SMILES for 4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine is FC(F)(F)c1ccc(Cc2nc(C3CCNCC3)n[nH]2)cc1.
What is the InChIKey of 4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine?
The InChIKey is SETHFGZOAPWTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4/c16-15(17,18)12-3-1-10(2-4-12)9-13-20-14(22-21-13)11-5-7-19-8-6-11/h1-4,11,19H,5-9H2,(H,20,21,22).
What are the key properties of 4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine?
4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine has a molecular weight of 310.32 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[[4-(trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazol-3-yl]piperidine is sourced from PubChem (CID 82568363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).