2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

C10H18N4 — CID 62406030

IUPAC2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCCCN1
InChIInChI=1S/C10H18N4/c1-8(2)14-7-12-13-10(14)9-5-3-4-6-11-9/h7-9,11H,3-6H2,1-2H3
InChIKeyXINCPYAFEWPQBJ-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.67
Rot. Bonds2

About 2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine

2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (PubChem CID 62406030) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.

Molecular Properties

Compound Name2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
PubChem CID62406030
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine
SMILESCC(C)n1cnnc1C1CCCCN1
InChIInChI=1S/C10H18N4/c1-8(2)14-7-12-13-10(14)9-5-3-4-6-11-9/h7-9,11H,3-6H2,1-2H3
InChIKeyXINCPYAFEWPQBJ-UHFFFAOYSA-N
XLogP1.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The IUPAC name of 2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine (CID 62406030) is 2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine.
What is the SMILES notation for 2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The canonical SMILES for 2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is CC(C)n1cnnc1C1CCCCN1.
What is the InChIKey of 2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
The InChIKey is XINCPYAFEWPQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8(2)14-7-12-13-10(14)9-5-3-4-6-11-9/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine?
2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine has a molecular weight of 194.28 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidine is sourced from PubChem (CID 62406030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).