6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

C19H22FN3O3 — CID 146287062

IUPAC6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1ccc2c(n1)OCCO2)N1CCC(Oc2cncc(F)c2)CC1
InChIInChI=1S/C19H22FN3O3/c1-13(17-2-3-18-19(22-17)25-9-8-24-18)23-6-4-15(5-7-23)26-16-10-14(20)11-21-12-16/h2-3,10-13,15H,4-9H2,1H3
InChIKeyVJJVOYDIUSUBOZ-UHFFFAOYSA-N
MW359.40 g/mol
LogP2.99
Rot. Bonds4

About 6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine

6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146287062) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is 6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146287062
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC Name6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1ccc2c(n1)OCCO2)N1CCC(Oc2cncc(F)c2)CC1
InChIInChI=1S/C19H22FN3O3/c1-13(17-2-3-18-19(22-17)25-9-8-24-18)23-6-4-15(5-7-23)26-16-10-14(20)11-21-12-16/h2-3,10-13,15H,4-9H2,1H3
InChIKeyVJJVOYDIUSUBOZ-UHFFFAOYSA-N
XLogP2.99
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146287062) is 6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is CC(c1ccc2c(n1)OCCO2)N1CCC(Oc2cncc(F)c2)CC1.
What is the InChIKey of 6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is VJJVOYDIUSUBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-13(17-2-3-18-19(22-17)25-9-8-24-18)23-6-4-15(5-7-23)26-16-10-14(20)11-21-12-16/h2-3,10-13,15H,4-9H2,1H3.
What are the key properties of 6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 359.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-[(5-fluoro-3-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146287062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).