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

C19H21F2N3O3 — CID 146286024

IUPAC6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1ccc2c(n1)OCCO2)N1CCCC(Oc2ncc(F)cc2F)C1
InChIInChI=1S/C19H21F2N3O3/c1-12(16-4-5-17-19(23-16)26-8-7-25-17)24-6-2-3-14(11-24)27-18-15(21)9-13(20)10-22-18/h4-5,9-10,12,14H,2-3,6-8,11H2,1H3
InChIKeyZNSXLPLYJJVEBC-UHFFFAOYSA-N
MW377.39 g/mol
LogP3.13
Rot. Bonds4

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

6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146286024) has the molecular formula C19H21F2N3O3 and a molecular weight of 377.39 g/mol. Its IUPAC name is 6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146286024
Molecular FormulaC19H21F2N3O3
Molecular Weight377.39 g/mol
Exact Mass377.16
IUPAC Name6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCC(c1ccc2c(n1)OCCO2)N1CCCC(Oc2ncc(F)cc2F)C1
InChIInChI=1S/C19H21F2N3O3/c1-12(16-4-5-17-19(23-16)26-8-7-25-17)24-6-2-3-14(11-24)27-18-15(21)9-13(20)10-22-18/h4-5,9-10,12,14H,2-3,6-8,11H2,1H3
InChIKeyZNSXLPLYJJVEBC-UHFFFAOYSA-N
XLogP3.13
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146286024) is 6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.
What is the SMILES notation for 6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is CC(c1ccc2c(n1)OCCO2)N1CCCC(Oc2ncc(F)cc2F)C1.
What is the InChIKey of 6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is ZNSXLPLYJJVEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O3/c1-12(16-4-5-17-19(23-16)26-8-7-25-17)24-6-2-3-14(11-24)27-18-15(21)9-13(20)10-22-18/h4-5,9-10,12,14H,2-3,6-8,11H2,1H3.
What are the key properties of 6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 377.39 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-[(3,5-difluoro-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146286024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).