4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine

C18H30N6 — CID 46982528

IUPAC4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine
SMILESCC(C)Cc1cn(C2CCN(C(C)CCn3cccn3)CC2)nn1
InChIInChI=1S/C18H30N6/c1-15(2)13-17-14-24(21-20-17)18-6-10-22(11-7-18)16(3)5-12-23-9-4-8-19-23/h4,8-9,14-16,18H,5-7,10-13H2,1-3H3
InChIKeyXHZROOLRFWWYNL-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.79
Rot. Bonds7

About 4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine

4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine (PubChem CID 46982528) has the molecular formula C18H30N6 and a molecular weight of 330.48 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine
PubChem CID46982528
Molecular FormulaC18H30N6
Molecular Weight330.48 g/mol
Exact Mass330.25
IUPAC Name4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine
SMILESCC(C)Cc1cn(C2CCN(C(C)CCn3cccn3)CC2)nn1
InChIInChI=1S/C18H30N6/c1-15(2)13-17-14-24(21-20-17)18-6-10-22(11-7-18)16(3)5-12-23-9-4-8-19-23/h4,8-9,14-16,18H,5-7,10-13H2,1-3H3
InChIKeyXHZROOLRFWWYNL-UHFFFAOYSA-N
XLogP2.79
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine?
The IUPAC name of 4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine (CID 46982528) is 4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine.
What is the SMILES notation for 4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine?
The canonical SMILES for 4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine is CC(C)Cc1cn(C2CCN(C(C)CCn3cccn3)CC2)nn1.
What is the InChIKey of 4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine?
The InChIKey is XHZROOLRFWWYNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6/c1-15(2)13-17-14-24(21-20-17)18-6-10-22(11-7-18)16(3)5-12-23-9-4-8-19-23/h4,8-9,14-16,18H,5-7,10-13H2,1-3H3.
What are the key properties of 4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine?
4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine has a molecular weight of 330.48 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)triazol-1-yl]-1-(4-pyrazol-1-ylbutan-2-yl)piperidine is sourced from PubChem (CID 46982528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).