6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C22H28FN3O3 — CID 153376532

About 6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 153376532) has the molecular formula C22H28FN3O3 and a molecular weight of 401.48 g/mol. Its IUPAC name is 6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

• Compound Name: 6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• PubChem CID: 153376532
• Molecular Formula: C22H28FN3O3
• Molecular Weight: 401.48 g/mol
• Exact Mass: 401.21
• IUPAC Name: 6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
• SMILES: Cc1cc(CO[C@H]2CCCN([C@H](C)c3nc4c(cc3F)OCCO4)C2)cc(C)n1
• InChI: InChI=1S/C22H28FN3O3/c1-14-9-17(10-15(2)24-14)13-29-18-5-4-6-26(12-18)16(3)21-19(23)11-20-22(25-21)28-8-7-27-20/h9-11,16,18H,4-8,12-13H2,1-3H3/t16-,18+/m1/s1
• InChIKey: NOMQOPMWFSANML-AEFFLSMTSA-N
• XLogP: 3.75
• TPSA: 56.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.48
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 153376532) is 6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

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

The canonical SMILES for 6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc(CO[C@H]2CCCN([C@H](C)c3nc4c(cc3F)OCCO4)C2)cc(C)n1.

What is the InChIKey of 6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?

The InChIKey is NOMQOPMWFSANML-AEFFLSMTSA-N. The full InChI is InChI=1S/C22H28FN3O3/c1-14-9-17(10-15(2)24-14)13-29-18-5-4-6-26(12-18)16(3)21-19(23)11-20-22(25-21)28-8-7-27-20/h9-11,16,18H,4-8,12-13H2,1-3H3/t16-,18+/m1/s1.

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

6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 401.48 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(1R)-1-[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methoxy]piperidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 153376532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).