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

C15H20Cl2N2O3 — CID 172731274

IUPAC4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid
SMILESCC(C)(C)c1c(OC2CCN(C(=O)O)CC2)cc(Cl)nc1Cl
InChIInChI=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)
InChIKeyHVBYERBCLMOZLL-UHFFFAOYSA-N
MW347.24 g/mol
LogP4.21
Rot. Bonds2

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 Name4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid
PubChem CID172731274
Molecular FormulaC15H20Cl2N2O3
Molecular Weight347.24 g/mol
Exact Mass346.09
IUPAC Name4-[(3-tert-butyl-2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylic acid
SMILESCC(C)(C)c1c(OC2CCN(C(=O)O)CC2)cc(Cl)nc1Cl
InChIInChI=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)
InChIKeyHVBYERBCLMOZLL-UHFFFAOYSA-N
XLogP4.21
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.24
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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).