(4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

C₁₂H₁₆Cl₂N₂O₂ — CID 60741387

About (4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone

(4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (PubChem CID 60741387) has the molecular formula C₁₂H₁₆Cl₂N₂O₂ and a molecular weight of 291.18 g/mol. Its IUPAC name is (4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
• PubChem CID: 60741387
• Molecular Formula: C₁₂H₁₆Cl₂N₂O₂
• Molecular Weight: 291.18 g/mol
• Exact Mass: 290.06
• IUPAC Name: (4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
• SMILES: O=C(c1cc(Cl)c(Cl)[nH]1)N1CCCCC1CCO
• InChI: InChI=1S/C12H16Cl2N2O2/c13-9-7-10(15-11(9)14)12(18)16-5-2-1-3-8(16)4-6-17/h7-8,15,17H,1-6H2
• InChIKey: PMMHVBQZJSFHAX-UHFFFAOYSA-N
• XLogP: 2.70
• TPSA: 56.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.18
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?

The IUPAC name of (4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone (CID 60741387) is (4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone.

What is the SMILES notation for (4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?

The canonical SMILES for (4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is O=C(c1cc(Cl)c(Cl)[nH]1)N1CCCCC1CCO.

What is the InChIKey of (4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?

The InChIKey is PMMHVBQZJSFHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c13-9-7-10(15-11(9)14)12(18)16-5-2-1-3-8(16)4-6-17/h7-8,15,17H,1-6H2.

What are the key properties of (4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone?

(4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone has a molecular weight of 291.18 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (4,5-dichloro-1H-pyrrol-2-yl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 60741387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 60741387 — identifiers, structure, computed properties (public domain)

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