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

C21H24F3N3O3 — CID 146286003

IUPAC6-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(OC2CCCN(C(C)c3ccc4c(n3)OCCO4)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C21H24F3N3O3/c1-13-10-16(11-19(25-13)21(22,23)24)30-15-4-3-7-27(12-15)14(2)17-5-6-18-20(26-17)29-9-8-28-18/h5-6,10-11,14-15H,3-4,7-9,12H2,1-2H3
InChIKeyANZHJXHZCPIJAB-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.18
Rot. Bonds4

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

6-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146286003) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 6-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146286003
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name6-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(OC2CCCN(C(C)c3ccc4c(n3)OCCO4)C2)cc(C(F)(F)F)n1
InChIInChI=1S/C21H24F3N3O3/c1-13-10-16(11-19(25-13)21(22,23)24)30-15-4-3-7-27(12-15)14(2)17-5-6-18-20(26-17)29-9-8-28-18/h5-6,10-11,14-15H,3-4,7-9,12H2,1-2H3
InChIKeyANZHJXHZCPIJAB-UHFFFAOYSA-N
XLogP4.18
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 6-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146286003) is 6-[1-[3-[[2-methyl-6-(trifluoromethyl)-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-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc(OC2CCCN(C(C)c3ccc4c(n3)OCCO4)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 6-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is ANZHJXHZCPIJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-13-10-16(11-19(25-13)21(22,23)24)30-15-4-3-7-27(12-15)14(2)17-5-6-18-20(26-17)29-9-8-28-18/h5-6,10-11,14-15H,3-4,7-9,12H2,1-2H3.
What are the key properties of 6-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 423.44 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146286003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).