4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid

C₁₅H₂₀Cl₂N₂O₃ — CID 172731274

About 4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid

4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid (PubChem CID 172731274) has the molecular formula C₁₅H₂₀Cl₂N₂O₃ and a molecular weight of 347.24 g/mol. Its IUPAC name is 4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid
• PubChem CID: 172731274
• Molecular Formula: C₁₅H₂₀Cl₂N₂O₃
• Molecular Weight: 347.24 g/mol
• Exact Mass: 346.09
• IUPAC Name: 4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid
• SMILES: CC(C)(C)c1c(OC2CCN(C(=O)O)CC2)cc(Cl)nc1Cl
• InChI: InChI=1S/C15H20Cl2N2O3/c1-15(2,3)12-10(8-11(16)18-13(12)17)22-9-4-6-19(7-5-9)14(20)21/h8-9H,4-7H2,1-3H3,(H,20,21)
• InChIKey: HVBYERBCLMOZLL-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 62.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.24
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid?

The IUPAC name of 4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid (CID 172731274) is 4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid.

What is the SMILES notation for 4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid?

The canonical SMILES for 4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid is CC(C)(C)c1c(OC2CCN(C(=O)O)CC2)cc(Cl)nc1Cl.

What is the InChIKey of 4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid?

The InChIKey is HVBYERBCLMOZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O3/c1-15(2,3)12-10(8-11(16)18-13(12)17)22-9-4-6-19(7-5-9)14(20)21/h8-9H,4-7H2,1-3H3,(H,20,21).

What are the key properties of 4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid?

4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid has a molecular weight of 347.24 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid is sourced from PubChem (CID 172731274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 172731274 — identifiers, structure, computed properties (public domain)

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