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

C21H24F3N3O2 — CID 58547881

IUPAC2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)16-3-4-19(26-14-16)27-10-5-17(6-11-27)29-20-18(2-1-9-25-20)15-7-12-28-13-8-15/h1-4,9,14-15,17H,5-8,10-13H2
InChIKeyOOMPQNKJPRWPOF-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.44
Rot. Bonds4

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

2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine (PubChem CID 58547881) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine
PubChem CID58547881
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC Name2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1
InChIInChI=1S/C21H24F3N3O2/c22-21(23,24)16-3-4-19(26-14-16)27-10-5-17(6-11-27)29-20-18(2-1-9-25-20)15-7-12-28-13-8-15/h1-4,9,14-15,17H,5-8,10-13H2
InChIKeyOOMPQNKJPRWPOF-UHFFFAOYSA-N
XLogP4.44
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The IUPAC name of 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine (CID 58547881) is 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The canonical SMILES for 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine is FC(F)(F)c1ccc(N2CCC(Oc3ncccc3C3CCOCC3)CC2)nc1.
What is the InChIKey of 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine?
The InChIKey is OOMPQNKJPRWPOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c22-21(23,24)16-3-4-19(26-14-16)27-10-5-17(6-11-27)29-20-18(2-1-9-25-20)15-7-12-28-13-8-15/h1-4,9,14-15,17H,5-8,10-13H2.
What are the key properties of 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine?
2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine has a molecular weight of 407.44 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]piperidin-1-yl]-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 58547881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).