2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine

C20H24BrN3O2 — CID 54670580

IUPAC2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
SMILESBrc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1
InChIInChI=1S/C20H24BrN3O2/c21-16-3-4-19(23-14-16)24-10-5-17(6-11-24)26-20-18(2-1-9-22-20)15-7-12-25-13-8-15/h1-4,9,14-15,17H,5-8,10-13H2
InChIKeyOULHTTUUBJQHPF-UHFFFAOYSA-N
MW418.34 g/mol
LogP4.18
Rot. Bonds4

About 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine

2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine (PubChem CID 54670580) has the molecular formula C20H24BrN3O2 and a molecular weight of 418.34 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
PubChem CID54670580
Molecular FormulaC20H24BrN3O2
Molecular Weight418.34 g/mol
Exact Mass417.11
IUPAC Name2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine
SMILESBrc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1
InChIInChI=1S/C20H24BrN3O2/c21-16-3-4-19(23-14-16)24-10-5-17(6-11-24)26-20-18(2-1-9-22-20)15-7-12-25-13-8-15/h1-4,9,14-15,17H,5-8,10-13H2
InChIKeyOULHTTUUBJQHPF-UHFFFAOYSA-N
XLogP4.18
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine?
The IUPAC name of 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine (CID 54670580) is 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine.
What is the SMILES notation for 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine?
The canonical SMILES for 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine is Brc1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1.
What is the InChIKey of 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine?
The InChIKey is OULHTTUUBJQHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrN3O2/c21-16-3-4-19(23-14-16)24-10-5-17(6-11-24)26-20-18(2-1-9-22-20)15-7-12-25-13-8-15/h1-4,9,14-15,17H,5-8,10-13H2.
What are the key properties of 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine?
2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine has a molecular weight of 418.34 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]oxy-3-(oxan-4-yl)pyridine is sourced from PubChem (CID 54670580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).