3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine

C14H24N4 — CID 53192060

IUPAC3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C14H24N4/c1-10(2)8-18-7-3-4-12(9-18)14-15-13(16-17-14)11-5-6-11/h10-12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyXOGBJIFJPJAOTP-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.52
Rot. Bonds4

About 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine

3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine (PubChem CID 53192060) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine
PubChem CID53192060
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCCC(c2n[nH]c(C3CC3)n2)C1
InChIInChI=1S/C14H24N4/c1-10(2)8-18-7-3-4-12(9-18)14-15-13(16-17-14)11-5-6-11/h10-12H,3-9H2,1-2H3,(H,15,16,17)
InChIKeyXOGBJIFJPJAOTP-UHFFFAOYSA-N
XLogP2.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine?
The IUPAC name of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine (CID 53192060) is 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine?
The canonical SMILES for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine is CC(C)CN1CCCC(c2n[nH]c(C3CC3)n2)C1.
What is the InChIKey of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine?
The InChIKey is XOGBJIFJPJAOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-10(2)8-18-7-3-4-12(9-18)14-15-13(16-17-14)11-5-6-11/h10-12H,3-9H2,1-2H3,(H,15,16,17).
What are the key properties of 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine?
3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine has a molecular weight of 248.37 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 53192060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).