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

C10H15F3N4 — CID 170069604

IUPAC4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESFC(F)(F)Cn1cnc(CC2CCNCC2)n1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)6-17-7-15-9(16-17)5-8-1-3-14-4-2-8/h7-8,14H,1-6H2
InChIKeyNRUWYDKNWKWBTQ-UHFFFAOYSA-N
MW248.25 g/mol
LogP1.38
Rot. Bonds3

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

4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine (PubChem CID 170069604) has the molecular formula C10H15F3N4 and a molecular weight of 248.25 g/mol. Its IUPAC name is 4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine.

Molecular Properties

Compound Name4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
PubChem CID170069604
Molecular FormulaC10H15F3N4
Molecular Weight248.25 g/mol
Exact Mass248.12
IUPAC Name4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine
SMILESFC(F)(F)Cn1cnc(CC2CCNCC2)n1
InChIInChI=1S/C10H15F3N4/c11-10(12,13)6-17-7-15-9(16-17)5-8-1-3-14-4-2-8/h7-8,14H,1-6H2
InChIKeyNRUWYDKNWKWBTQ-UHFFFAOYSA-N
XLogP1.38
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Isopropyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988293
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 25658249
3-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62692577
3-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine
CID 43810594
4-(4H-1,2,4-triazol-3-yl)piperidine
CID 56737789
3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 62694266
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine
CID 79605567
4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 46737139
4-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 50988339
4-(4H-1,2,4-triazol-3-yl)piperidine dihydrochloride
CID 71299989
4-(4-Methyl-4H-1,2,4-triazol-3-yl)piperidine dihydrochloride hydrate
CID 75531205
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidine dihydrochloride
CID 132300878

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The IUPAC name of 4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine (CID 170069604) is 4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine.
What is the SMILES notation for 4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The canonical SMILES for 4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine is FC(F)(F)Cn1cnc(CC2CCNCC2)n1.
What is the InChIKey of 4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
The InChIKey is NRUWYDKNWKWBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4/c11-10(12,13)6-17-7-15-9(16-17)5-8-1-3-14-4-2-8/h7-8,14H,1-6H2.
What are the key properties of 4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine?
4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine has a molecular weight of 248.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methyl]piperidine is sourced from PubChem (CID 170069604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).