2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol

C₁₀H₁₉NO — CID 117266666

About 2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol

2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol (PubChem CID 117266666) has the molecular formula C₁₀H₁₉NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol.

Molecular Properties

• Compound Name: 2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol
• PubChem CID: 117266666
• Molecular Formula: C₁₀H₁₉NO
• Molecular Weight: 169.27 g/mol
• Exact Mass: 169.15
• IUPAC Name: 2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol
• SMILES: C=C(CO)C1CCCN(CC)C1
• InChI: InChI=1S/C10H19NO/c1-3-11-6-4-5-10(7-11)9(2)8-12/h10,12H,2-8H2,1H3
• InChIKey: JWLVVLXLSCKMSE-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	169.27
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol?

The IUPAC name of 2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol (CID 117266666) is 2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol.

What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol?

The canonical SMILES for 2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol is C=C(CO)C1CCCN(CC)C1.

What is the InChIKey of 2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol?

The InChIKey is JWLVVLXLSCKMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-11-6-4-5-10(7-11)9(2)8-12/h10,12H,2-8H2,1H3.

What are the key properties of 2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol?

2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-ethylpiperidin-3-yl)prop-2-en-1-ol is sourced from PubChem (CID 117266666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 117266666 — identifiers, structure, computed properties (public domain)

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