4-(4-methoxypiperidin-1-yl)but-2-en-1-amine

C₁₀H₂₀N₂O — CID 77110204

About 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine

4-(4-methoxypiperidin-1-yl)but-2-en-1-amine (PubChem CID 77110204) has the molecular formula C₁₀H₂₀N₂O and a molecular weight of 184.28 g/mol. Its IUPAC name is 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine.

Molecular Properties

• Compound Name: 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine
• PubChem CID: 77110204
• Molecular Formula: C₁₀H₂₀N₂O
• Molecular Weight: 184.28 g/mol
• Exact Mass: 184.16
• IUPAC Name: 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine
• SMILES: COC1CCN(CC=CCN)CC1
• InChI: InChI=1S/C10H20N2O/c1-13-10-4-8-12(9-5-10)7-3-2-6-11/h2-3,10H,4-9,11H2,1H3
• InChIKey: ZYZSSFHZFLNBFG-UHFFFAOYSA-N
• XLogP: 0.61
• TPSA: 38.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	184.28
LogP ≤ 5	0.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine?

The IUPAC name of 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine (CID 77110204) is 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine.

What is the SMILES notation for 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine?

The canonical SMILES for 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine is COC1CCN(CC=CCN)CC1.

What is the InChIKey of 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine?

The InChIKey is ZYZSSFHZFLNBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-13-10-4-8-12(9-5-10)7-3-2-6-11/h2-3,10H,4-9,11H2,1H3.

What are the key properties of 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine?

4-(4-methoxypiperidin-1-yl)but-2-en-1-amine has a molecular weight of 184.28 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(4-methoxypiperidin-1-yl)but-2-en-1-amine is sourced from PubChem (CID 77110204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 77110204 — identifiers, structure, computed properties (public domain)

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