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

C21H25F2N3O3 — CID 146287113

IUPAC6-[1-[4-[[2-(difluoromethyl)-6-methyl-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(OC2CCN(C(C)c3ccc4c(n3)OCCO4)CC2)cc(C(F)F)n1
InChIInChI=1S/C21H25F2N3O3/c1-13-11-16(12-18(24-13)20(22)23)29-15-5-7-26(8-6-15)14(2)17-3-4-19-21(25-17)28-10-9-27-19/h3-4,11-12,14-15,20H,5-10H2,1-2H3
InChIKeyFLRUURQCCUULLG-UHFFFAOYSA-N
MW405.45 g/mol
LogP4.10
Rot. Bonds5

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

6-[1-[4-[[2-(difluoromethyl)-6-methyl-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146287113) has the molecular formula C21H25F2N3O3 and a molecular weight of 405.45 g/mol. Its IUPAC name is 6-[1-[4-[[2-(difluoromethyl)-6-methyl-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[4-[[2-(difluoromethyl)-6-methyl-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146287113
Molecular FormulaC21H25F2N3O3
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC Name6-[1-[4-[[2-(difluoromethyl)-6-methyl-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(OC2CCN(C(C)c3ccc4c(n3)OCCO4)CC2)cc(C(F)F)n1
InChIInChI=1S/C21H25F2N3O3/c1-13-11-16(12-18(24-13)20(22)23)29-15-5-7-26(8-6-15)14(2)17-3-4-19-21(25-17)28-10-9-27-19/h3-4,11-12,14-15,20H,5-10H2,1-2H3
InChIKeyFLRUURQCCUULLG-UHFFFAOYSA-N
XLogP4.10
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-[[2-(difluoromethyl)-6-methyl-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-[4-[[2-(difluoromethyl)-6-methyl-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146287113) is 6-[1-[4-[[2-(difluoromethyl)-6-methyl-4-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-[[2-(difluoromethyl)-6-methyl-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[4-[[2-(difluoromethyl)-6-methyl-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc(OC2CCN(C(C)c3ccc4c(n3)OCCO4)CC2)cc(C(F)F)n1.
What is the InChIKey of 6-[1-[4-[[2-(difluoromethyl)-6-methyl-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is FLRUURQCCUULLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O3/c1-13-11-16(12-18(24-13)20(22)23)29-15-5-7-26(8-6-15)14(2)17-3-4-19-21(25-17)28-10-9-27-19/h3-4,11-12,14-15,20H,5-10H2,1-2H3.
What are the key properties of 6-[1-[4-[[2-(difluoromethyl)-6-methyl-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[4-[[2-(difluoromethyl)-6-methyl-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 405.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-[[2-(difluoromethyl)-6-methyl-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146287113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).