7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C21H23F4N3O3 — CID 146287093

About 7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146287093) has the molecular formula C21H23F4N3O3 and a molecular weight of 441.43 g/mol. Its IUPAC name is 7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

• Compound Name: 7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• PubChem CID: 146287093
• Molecular Formula: C21H23F4N3O3
• Molecular Weight: 441.43 g/mol
• Exact Mass: 441.17
• IUPAC Name: 7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• SMILES: Cc1cc(C(F)(F)F)cc(OC2CCN(C(C)c3nc4c(cc3F)OCCO4)CC2)n1
• InChI: InChI=1S/C21H23F4N3O3/c1-12-9-14(21(23,24)25)10-18(26-12)31-15-3-5-28(6-4-15)13(2)19-16(22)11-17-20(27-19)30-8-7-29-17/h9-11,13,15H,3-8H2,1-2H3
• InChIKey: DWRRRICBSLLNPL-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 56.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.43
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The IUPAC name of 7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146287093) is 7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

What is the SMILES notation for 7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The canonical SMILES for 7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc(C(F)(F)F)cc(OC2CCN(C(C)c3nc4c(cc3F)OCCO4)CC2)n1.

What is the InChIKey of 7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The InChIKey is DWRRRICBSLLNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F4N3O3/c1-12-9-14(21(23,24)25)10-18(26-12)31-15-3-5-28(6-4-15)13(2)19-16(22)11-17-20(27-19)30-8-7-29-17/h9-11,13,15H,3-8H2,1-2H3.

What are the key properties of 7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 441.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146287093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).