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

C18H26N4 — CID 174588681

IUPAC4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(c2n[nH]c(Cc3ccccc3)n2)CC1
InChIInChI=1S/C18H26N4/c1-14(2)13-22-10-8-16(9-11-22)18-19-17(20-21-18)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,19,20,21)
InChIKeyYZICWWWQFMGXMS-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.23
Rot. Bonds5

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

4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine (PubChem CID 174588681) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine
PubChem CID174588681
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine
SMILESCC(C)CN1CCC(c2n[nH]c(Cc3ccccc3)n2)CC1
InChIInChI=1S/C18H26N4/c1-14(2)13-22-10-8-16(9-11-22)18-19-17(20-21-18)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,19,20,21)
InChIKeyYZICWWWQFMGXMS-UHFFFAOYSA-N
XLogP3.23
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine?
The IUPAC name of 4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine (CID 174588681) is 4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine is CC(C)CN1CCC(c2n[nH]c(Cc3ccccc3)n2)CC1.
What is the InChIKey of 4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine?
The InChIKey is YZICWWWQFMGXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-14(2)13-22-10-8-16(9-11-22)18-19-17(20-21-18)12-15-6-4-3-5-7-15/h3-7,14,16H,8-13H2,1-2H3,(H,19,20,21).
What are the key properties of 4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine?
4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine has a molecular weight of 298.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzyl-1H-1,2,4-triazol-3-yl)-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 174588681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).