2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine

C11H20N4 — CID 50965136

IUPAC2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine
SMILESCC1(C)CC(n2cnnc2)CC(C)(C)N1
InChIInChI=1S/C11H20N4/c1-10(2)5-9(6-11(3,4)14-10)15-7-12-13-8-15/h7-9,14H,5-6H2,1-4H3
InChIKeyGPCJADRPYIOFJR-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.76
Rot. Bonds1

About 2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine

2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine (PubChem CID 50965136) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine
PubChem CID50965136
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine
SMILESCC1(C)CC(n2cnnc2)CC(C)(C)N1
InChIInChI=1S/C11H20N4/c1-10(2)5-9(6-11(3,4)14-10)15-7-12-13-8-15/h7-9,14H,5-6H2,1-4H3
InChIKeyGPCJADRPYIOFJR-UHFFFAOYSA-N
XLogP1.76
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine?
The IUPAC name of 2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine (CID 50965136) is 2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine?
The canonical SMILES for 2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine is CC1(C)CC(n2cnnc2)CC(C)(C)N1.
What is the InChIKey of 2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine?
The InChIKey is GPCJADRPYIOFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-10(2)5-9(6-11(3,4)14-10)15-7-12-13-8-15/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine?
2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine has a molecular weight of 208.31 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-(1,2,4-triazol-4-yl)piperidine is sourced from PubChem (CID 50965136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).