3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine

C14H20N4S — CID 53192105

IUPAC3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine
SMILESCCc1nc(C2CCCN(Cc3cccs3)C2)n[nH]1
InChIInChI=1S/C14H20N4S/c1-2-13-15-14(17-16-13)11-5-3-7-18(9-11)10-12-6-4-8-19-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,15,16,17)
InChIKeyPZSYRRJITYLZMJ-UHFFFAOYSA-N
MW276.41 g/mol
LogP2.81
Rot. Bonds4

About 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine

3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine (PubChem CID 53192105) has the molecular formula C14H20N4S and a molecular weight of 276.41 g/mol. Its IUPAC name is 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine.

Molecular Properties

Compound Name3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine
PubChem CID53192105
Molecular FormulaC14H20N4S
Molecular Weight276.41 g/mol
Exact Mass276.14
IUPAC Name3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine
SMILESCCc1nc(C2CCCN(Cc3cccs3)C2)n[nH]1
InChIInChI=1S/C14H20N4S/c1-2-13-15-14(17-16-13)11-5-3-7-18(9-11)10-12-6-4-8-19-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,15,16,17)
InChIKeyPZSYRRJITYLZMJ-UHFFFAOYSA-N
XLogP2.81
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine?
The IUPAC name of 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine (CID 53192105) is 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine.
What is the SMILES notation for 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine?
The canonical SMILES for 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine is CCc1nc(C2CCCN(Cc3cccs3)C2)n[nH]1.
What is the InChIKey of 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine?
The InChIKey is PZSYRRJITYLZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4S/c1-2-13-15-14(17-16-13)11-5-3-7-18(9-11)10-12-6-4-8-19-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3,(H,15,16,17).
What are the key properties of 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine?
3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine has a molecular weight of 276.41 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-1H-1,2,4-triazol-3-yl)-1-(thiophen-2-ylmethyl)piperidine is sourced from PubChem (CID 53192105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).