[1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine

C₁₂H₂₂N₄ — CID 106552311

About [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine

[1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine (PubChem CID 106552311) has the molecular formula C₁₂H₂₂N₄ and a molecular weight of 222.34 g/mol. Its IUPAC name is [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine.

Molecular Properties

• Compound Name: [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine
• PubChem CID: 106552311
• Molecular Formula: C₁₂H₂₂N₄
• Molecular Weight: 222.34 g/mol
• Exact Mass: 222.18
• IUPAC Name: [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine
• SMILES: CCc1cn(C)c(N2CCC(CN)CC2)n1
• InChI: InChI=1S/C12H22N4/c1-3-11-9-15(2)12(14-11)16-6-4-10(8-13)5-7-16/h9-10H,3-8,13H2,1-2H3
• InChIKey: OLNCJGDWQQLNGH-UHFFFAOYSA-N
• XLogP: 1.16
• TPSA: 47.08 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	222.34
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine?

The IUPAC name of [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine (CID 106552311) is [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine.

What is the SMILES notation for [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine?

The canonical SMILES for [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine is CCc1cn(C)c(N2CCC(CN)CC2)n1.

What is the InChIKey of [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine?

The InChIKey is OLNCJGDWQQLNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-11-9-15(2)12(14-11)16-6-4-10(8-13)5-7-16/h9-10H,3-8,13H2,1-2H3.

What are the key properties of [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine?

[1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine has a molecular weight of 222.34 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-(4-ethyl-1-methylimidazol-2-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 106552311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106552311 — identifiers, structure, computed properties (public domain)

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