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

C21H24F3N3O3 — CID 146287165

IUPAC6-[1-[4-[[2-methyl-6-(trifluoromethyl)-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)F)n1
InChIInChI=1S/C21H24F3N3O3/c1-13-11-16(12-19(25-13)21(22,23)24)30-15-5-7-27(8-6-15)14(2)17-3-4-18-20(26-17)29-10-9-28-18/h3-4,11-12,14-15H,5-10H2,1-2H3
InChIKeyRHLXESLCYKAOMO-UHFFFAOYSA-N
MW423.44 g/mol
LogP4.18
Rot. Bonds4

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

6-[1-[4-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146287165) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 6-[1-[4-[[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-[4-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146287165
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name6-[1-[4-[[2-methyl-6-(trifluoromethyl)-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)F)n1
InChIInChI=1S/C21H24F3N3O3/c1-13-11-16(12-19(25-13)21(22,23)24)30-15-5-7-27(8-6-15)14(2)17-3-4-18-20(26-17)29-10-9-28-18/h3-4,11-12,14-15H,5-10H2,1-2H3
InChIKeyRHLXESLCYKAOMO-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

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

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Related Compounds

6-[1-[4-[(2-methyl-6-propan-2-yl-4-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287149
6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)oxy]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 153376694
6-[1-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287056
6-[1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxy]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162464304
7-fluoro-6-[1-[4-[[6-methyl-4-(trifluoromethyl)-2-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146287093
6-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162468296
6-[1-[3-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146283730
6-[1-[(3R,4S)-4-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methylpiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 166727421
6-[1-[4-[(2,6-dimethyl-4-pyridinyl)oxy]-2,3-dihydropyrrol-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 166727424
(2Z,4E)-2,5-diamino-5-[1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-4-yl]oxypenta-2,4-dienamide
CID 146287451
7-[1-[3-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
CID 146286111
6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146286208

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-[[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-[4-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (CID 146287165) is 6-[1-[4-[[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-[4-[[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-[4-[[2-methyl-6-(trifluoromethyl)-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)F)n1.
What is the InChIKey of 6-[1-[4-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is RHLXESLCYKAOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-13-11-16(12-19(25-13)21(22,23)24)30-15-5-7-27(8-6-15)14(2)17-3-4-18-20(26-17)29-10-9-28-18/h3-4,11-12,14-15H,5-10H2,1-2H3.
What are the key properties of 6-[1-[4-[[2-methyl-6-(trifluoromethyl)-4-pyridinyl]oxy]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[4-[[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-[4-[[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 146287165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).