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

C10H15F3N4 — CID 174288083

IUPAC4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
SMILESFC(F)(F)Cc1nc(CC2CCNCC2)n[nH]1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)6-9-15-8(16-17-9)5-7-1-3-14-4-2-7/h7,14H,1-6H2,(H,15,16,17)
InChIKeySROSCKPBVCVYIN-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.45
Rot. Bonds3

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

4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine (PubChem CID 174288083) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
PubChem CID174288083
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine
SMILESFC(F)(F)Cc1nc(CC2CCNCC2)n[nH]1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)6-9-15-8(16-17-9)5-7-1-3-14-4-2-7/h7,14H,1-6H2,(H,15,16,17)
InChIKeySROSCKPBVCVYIN-UHFFFAOYSA-N
XLogP1.45
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine?
The IUPAC name of 4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine (CID 174288083) is 4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine.
What is the SMILES notation for 4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine?
The canonical SMILES for 4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine is FC(F)(F)Cc1nc(CC2CCNCC2)n[nH]1.
What is the InChIKey of 4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine?
The InChIKey is SROSCKPBVCVYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c11-10(12,13)6-9-15-8(16-17-9)5-7-1-3-14-4-2-7/h7,14H,1-6H2,(H,15,16,17).
What are the key properties of 4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine?
4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine has a molecular weight of 248.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]methyl]piperidine is sourced from PubChem (CID 174288083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).