2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol

C₁₁H₁₅Cl₂N₃O₂ — CID 82691197

About 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol

2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol (PubChem CID 82691197) has the molecular formula C₁₁H₁₅Cl₂N₃O₂ and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol.

Molecular Properties

• Compound Name: 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
• PubChem CID: 82691197
• Molecular Formula: C₁₁H₁₅Cl₂N₃O₂
• Molecular Weight: 292.17 g/mol
• Exact Mass: 291.05
• IUPAC Name: 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol
• SMILES: OCCOC1CCN(c2nc(Cl)ncc2Cl)CC1
• InChI: InChI=1S/C11H15Cl2N3O2/c12-9-7-14-11(13)15-10(9)16-3-1-8(2-4-16)18-6-5-17/h7-8,17H,1-6H2
• InChIKey: DJPZUHOWWOSXPJ-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 58.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.17
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol?

The IUPAC name of 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol (CID 82691197) is 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol.

What is the SMILES notation for 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol?

The canonical SMILES for 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol is OCCOC1CCN(c2nc(Cl)ncc2Cl)CC1.

What is the InChIKey of 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol?

The InChIKey is DJPZUHOWWOSXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O2/c12-9-7-14-11(13)15-10(9)16-3-1-8(2-4-16)18-6-5-17/h7-8,17H,1-6H2.

What are the key properties of 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol?

2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol has a molecular weight of 292.17 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2,5-dichloropyrimidin-4-yl)piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82691197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 82691197 — identifiers, structure, computed properties (public domain)

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