1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine

C₁₅H₂₈N₄O — CID 106552794

About 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine

1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine (PubChem CID 106552794) has the molecular formula C₁₅H₂₈N₄O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine.

Molecular Properties

• Compound Name: 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine
• PubChem CID: 106552794
• Molecular Formula: C₁₅H₂₈N₄O
• Molecular Weight: 280.42 g/mol
• Exact Mass: 280.23
• IUPAC Name: 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine
• SMILES: CCc1cn(CCCOC)c(N2CCC(C)C(N)C2)n1
• InChI: InChI=1S/C15H28N4O/c1-4-13-10-18(7-5-9-20-3)15(17-13)19-8-6-12(2)14(16)11-19/h10,12,14H,4-9,11,16H2,1-3H3
• InChIKey: JLTBHHKTXVAAPO-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 56.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	280.42
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine?

The IUPAC name of 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine (CID 106552794) is 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine.

What is the SMILES notation for 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine?

The canonical SMILES for 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine is CCc1cn(CCCOC)c(N2CCC(C)C(N)C2)n1.

What is the InChIKey of 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine?

The InChIKey is JLTBHHKTXVAAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-4-13-10-18(7-5-9-20-3)15(17-13)19-8-6-12(2)14(16)11-19/h10,12,14H,4-9,11,16H2,1-3H3.

What are the key properties of 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine?

1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine has a molecular weight of 280.42 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-ethyl-1-(3-methoxypropyl)imidazol-2-yl]-4-methylpiperidin-3-amine is sourced from PubChem (CID 106552794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 106552794 — identifiers, structure, computed properties (public domain)

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