N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine

C₁₀H₁₈N₂ — CID 123932561

About N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine

N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine (PubChem CID 123932561) has the molecular formula C₁₀H₁₈N₂ and a molecular weight of 166.27 g/mol. Its IUPAC name is N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine.

Molecular Properties

• Compound Name: N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine
• PubChem CID: 123932561
• Molecular Formula: C₁₀H₁₈N₂
• Molecular Weight: 166.27 g/mol
• Exact Mass: 166.15
• IUPAC Name: N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine
• SMILES: C=C/C=N/C1CCN(CC)CC1
• InChI: InChI=1S/C10H18N2/c1-3-7-11-10-5-8-12(4-2)9-6-10/h3,7,10H,1,4-6,8-9H2,2H3/b11-7+
• InChIKey: OGACFMAISGEBNP-YRNVUSSQSA-N
• XLogP: 1.73
• TPSA: 15.60 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	166.27
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine?

The IUPAC name of N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine (CID 123932561) is N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine.

What is the SMILES notation for N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine?

The canonical SMILES for N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine is C=C/C=N/C1CCN(CC)CC1.

What is the InChIKey of N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine?

The InChIKey is OGACFMAISGEBNP-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-7-11-10-5-8-12(4-2)9-6-10/h3,7,10H,1,4-6,8-9H2,2H3/b11-7+.

What are the key properties of N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine?

N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine has a molecular weight of 166.27 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-ethylpiperidin-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 123932561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 123932561 — identifiers, structure, computed properties (public domain)

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