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

C20H30N4 — CID 46986086

IUPAC4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine
SMILESCC(C)Cc1cn(C2CCN(CC(C)c3ccccc3)CC2)nn1
InChIInChI=1S/C20H30N4/c1-16(2)13-19-15-24(22-21-19)20-9-11-23(12-10-20)14-17(3)18-7-5-4-6-8-18/h4-8,15-17,20H,9-14H2,1-3H3
InChIKeyGHQNSLKQWNGPEU-UHFFFAOYSA-N
MW326.49 g/mol
LogP3.92
Rot. Bonds6

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

4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine (PubChem CID 46986086) has the molecular formula C20H30N4 and a molecular weight of 326.49 g/mol. Its IUPAC name is 4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine.

Molecular Properties

Compound Name4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine
PubChem CID46986086
Molecular FormulaC20H30N4
Molecular Weight326.49 g/mol
Exact Mass326.25
IUPAC Name4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine
SMILESCC(C)Cc1cn(C2CCN(CC(C)c3ccccc3)CC2)nn1
InChIInChI=1S/C20H30N4/c1-16(2)13-19-15-24(22-21-19)20-9-11-23(12-10-20)14-17(3)18-7-5-4-6-8-18/h4-8,15-17,20H,9-14H2,1-3H3
InChIKeyGHQNSLKQWNGPEU-UHFFFAOYSA-N
XLogP3.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.49
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine?
The IUPAC name of 4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine (CID 46986086) is 4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine.
What is the SMILES notation for 4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine?
The canonical SMILES for 4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine is CC(C)Cc1cn(C2CCN(CC(C)c3ccccc3)CC2)nn1.
What is the InChIKey of 4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine?
The InChIKey is GHQNSLKQWNGPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4/c1-16(2)13-19-15-24(22-21-19)20-9-11-23(12-10-20)14-17(3)18-7-5-4-6-8-18/h4-8,15-17,20H,9-14H2,1-3H3.
What are the key properties of 4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine?
4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine has a molecular weight of 326.49 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpropyl)triazol-1-yl]-1-(2-phenylpropyl)piperidine is sourced from PubChem (CID 46986086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).