Ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate

C₁₄H₁₈FNO₃ — CID 90367821

About Ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate

Ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate (PubChem CID 90367821) has the molecular formula C₁₄H₁₈FNO₃ and a molecular weight of 267.30 g/mol. Its IUPAC name is ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate.

Molecular Properties

• Compound Name: Ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate
• PubChem CID: 90367821
• Molecular Formula: C₁₄H₁₈FNO₃
• Molecular Weight: 267.30 g/mol
• Exact Mass: 267.13
• IUPAC Name: ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate
• SMILES: CCOC(=O)c1ccc(C2(F)CCN(O)CC2)cc1
• InChI: InChI=1S/C14H18FNO3/c1-2-19-13(17)11-3-5-12(6-4-11)14(15)7-9-16(18)10-8-14/h3-6,18H,2,7-10H2,1H3
• InChIKey: KERURAXWSCLCTO-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 49.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	267.30
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate?

The IUPAC name of Ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate (CID 90367821) is ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate.

What is the SMILES notation for Ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate?

The canonical SMILES for Ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate is CCOC(=O)c1ccc(C2(F)CCN(O)CC2)cc1.

What is the InChIKey of Ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate?

The InChIKey is KERURAXWSCLCTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-2-19-13(17)11-3-5-12(6-4-11)14(15)7-9-16(18)10-8-14/h3-6,18H,2,7-10H2,1H3.

What are the key properties of Ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate?

Ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate has a molecular weight of 267.30 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 4-(4-fluoro-1-hydroxypiperidin-4-yl)benzoate is sourced from PubChem (CID 90367821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 90367821 — identifiers, structure, computed properties (public domain)

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