[1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol

C₁₅H₂₄FNO — CID 143623572

About [1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol

[1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol (PubChem CID 143623572) has the molecular formula C₁₅H₂₄FNO and a molecular weight of 253.36 g/mol. Its IUPAC name is [1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol.

Molecular Properties

• Compound Name: [1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol
• PubChem CID: 143623572
• Molecular Formula: C₁₅H₂₄FNO
• Molecular Weight: 253.36 g/mol
• Exact Mass: 253.18
• IUPAC Name: [1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol
• SMILES: C=C/C(F)=C(\C=C)CN1C(C)CC(CO)CC1C
• InChI: InChI=1S/C15H24FNO/c1-5-14(15(16)6-2)9-17-11(3)7-13(10-18)8-12(17)4/h5-6,11-13,18H,1-2,7-10H2,3-4H3/b15-14-
• InChIKey: POVJYJVWZCDXMF-PFONDFGASA-N
• XLogP: 3.06
• TPSA: 23.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	253.36
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol?

The IUPAC name of [1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol (CID 143623572) is [1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol.

What is the SMILES notation for [1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol?

The canonical SMILES for [1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol is C=C/C(F)=C(\C=C)CN1C(C)CC(CO)CC1C.

What is the InChIKey of [1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol?

The InChIKey is POVJYJVWZCDXMF-PFONDFGASA-N. The full InChI is InChI=1S/C15H24FNO/c1-5-14(15(16)6-2)9-17-11(3)7-13(10-18)8-12(17)4/h5-6,11-13,18H,1-2,7-10H2,3-4H3/b15-14-.

What are the key properties of [1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol?

[1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol has a molecular weight of 253.36 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[(2Z)-2-ethenyl-3-fluoropenta-2,4-dienyl]-2,6-dimethylpiperidin-4-yl]methanol is sourced from PubChem (CID 143623572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143623572 — identifiers, structure, computed properties (public domain)

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