1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate

C17H23N3O2 — CID 39146514

About 1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate

1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate (PubChem CID 39146514) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate.

Molecular Properties

• Compound Name: 1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
• PubChem CID: 39146514
• Molecular Formula: C17H23N3O2
• Molecular Weight: 301.39 g/mol
• Exact Mass: 301.18
• IUPAC Name: 1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate
• SMILES: CC(C)c1nc2ccccn2c1C[NH+]1CCC(C(=O)[O-])CC1
• InChI: InChI=1S/C17H23N3O2/c1-12(2)16-14(20-8-4-3-5-15(20)18-16)11-19-9-6-13(7-10-19)17(21)22/h3-5,8,12-13H,6-7,9-11H2,1-2H3,(H,21,22)
• InChIKey: SFLHYLCNEKMLEZ-UHFFFAOYSA-N
• XLogP: 0.00
• TPSA: 61.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.39
LogP ≤ 5	0.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?

The IUPAC name of 1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate (CID 39146514) is 1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate.

What is the SMILES notation for 1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?

The canonical SMILES for 1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate is CC(C)c1nc2ccccn2c1C[NH+]1CCC(C(=O)[O-])CC1.

What is the InChIKey of 1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?

The InChIKey is SFLHYLCNEKMLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12(2)16-14(20-8-4-3-5-15(20)18-16)11-19-9-6-13(7-10-19)17(21)22/h3-5,8,12-13H,6-7,9-11H2,1-2H3,(H,21,22).

What are the key properties of 1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate?

1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 0.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-1-ium-4-carboxylate is sourced from PubChem (CID 39146514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).