2-methyl-1-(2H-triazol-4-yl)piperidine

C8H14N4 — CID 134533059

IUPAC2-methyl-1-(2H-triazol-4-yl)piperidine
SMILESCC1CCCCN1c1cn[nH]n1
InChIInChI=1S/C8H14N4/c1-7-4-2-3-5-12(7)8-6-9-11-10-8/h6-7H,2-5H2,1H3,(H,9,10,11)
InChIKeyTVDDSIIZIMBPAT-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.18
Rot. Bonds1

About 2-methyl-1-(2H-triazol-4-yl)piperidine

2-methyl-1-(2H-triazol-4-yl)piperidine (PubChem CID 134533059) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-methyl-1-(2H-triazol-4-yl)piperidine.

Molecular Properties

Compound Name2-methyl-1-(2H-triazol-4-yl)piperidine
PubChem CID134533059
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-methyl-1-(2H-triazol-4-yl)piperidine
SMILESCC1CCCCN1c1cn[nH]n1
InChIInChI=1S/C8H14N4/c1-7-4-2-3-5-12(7)8-6-9-11-10-8/h6-7H,2-5H2,1H3,(H,9,10,11)
InChIKeyTVDDSIIZIMBPAT-UHFFFAOYSA-N
XLogP1.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2H-triazol-4-yl)piperidine?
The IUPAC name of 2-methyl-1-(2H-triazol-4-yl)piperidine (CID 134533059) is 2-methyl-1-(2H-triazol-4-yl)piperidine.
What is the SMILES notation for 2-methyl-1-(2H-triazol-4-yl)piperidine?
The canonical SMILES for 2-methyl-1-(2H-triazol-4-yl)piperidine is CC1CCCCN1c1cn[nH]n1.
What is the InChIKey of 2-methyl-1-(2H-triazol-4-yl)piperidine?
The InChIKey is TVDDSIIZIMBPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-7-4-2-3-5-12(7)8-6-9-11-10-8/h6-7H,2-5H2,1H3,(H,9,10,11).
What are the key properties of 2-methyl-1-(2H-triazol-4-yl)piperidine?
2-methyl-1-(2H-triazol-4-yl)piperidine has a molecular weight of 166.23 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2H-triazol-4-yl)piperidine is sourced from PubChem (CID 134533059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).