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

C22H26F3N3O3 — CID 146286208

IUPAC6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(CC2CCCN(C(C)c3ccc4c(n3)OCCO4)C2)cc(OC(F)(F)F)n1
InChIInChI=1S/C22H26F3N3O3/c1-14-10-17(12-20(26-14)31-22(23,24)25)11-16-4-3-7-28(13-16)15(2)18-5-6-19-21(27-18)30-9-8-29-19/h5-6,10,12,15-16H,3-4,7-9,11,13H2,1-2H3
InChIKeyQSGQCMSHOYDPMU-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.47
Rot. Bonds5

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

6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine (PubChem CID 146286208) has the molecular formula C22H26F3N3O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is 6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine.

Molecular Properties

Compound Name6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
PubChem CID146286208
Molecular FormulaC22H26F3N3O3
Molecular Weight437.46 g/mol
Exact Mass437.19
IUPAC Name6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
SMILESCc1cc(CC2CCCN(C(C)c3ccc4c(n3)OCCO4)C2)cc(OC(F)(F)F)n1
InChIInChI=1S/C22H26F3N3O3/c1-14-10-17(12-20(26-14)31-22(23,24)25)11-16-4-3-7-28(13-16)15(2)18-5-6-19-21(27-18)30-9-8-29-19/h5-6,10,12,15-16H,3-4,7-9,11,13H2,1-2H3
InChIKeyQSGQCMSHOYDPMU-UHFFFAOYSA-N
XLogP4.47
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

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
N-[[(3S)-1-[(1R)-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;N-[[(3S)-1-[(1S)-1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;N-[[(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridin-4-amine;sulfane
CID 160878735
[(3S)-1-[1-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)ethyl]piperidin-3-yl]methanol;sulfane
CID 162070897
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-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]ethyl]-7-fluoro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 162464302
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 146283795
4-[[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 163887763
6-[1-[3-[(2,6-dimethyl-4-pyridinyl)methyl]-3-fluoropiperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146286002
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]pyrrolidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146283801
6-[(1S)-1-[(3R)-3-[(2-methoxy-6-methyl-4-pyridinyl)methyl]-3-methylpyrrolidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 146283838
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
7-[(1R)-1-[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]propyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
CID 166766447

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The IUPAC name of 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) is 6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]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-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The canonical SMILES for 6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is Cc1cc(CC2CCCN(C(C)c3ccc4c(n3)OCCO4)C2)cc(OC(F)(F)F)n1.
What is the InChIKey of 6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
The InChIKey is QSGQCMSHOYDPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O3/c1-14-10-17(12-20(26-14)31-22(23,24)25)11-16-4-3-7-28(13-16)15(2)18-5-6-19-21(27-18)30-9-8-29-19/h5-6,10,12,15-16H,3-4,7-9,11,13H2,1-2H3.
What are the key properties of 6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine?
6-[1-[3-[[2-methyl-6-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine has a molecular weight of 437.46 g/mol, XLogP of 4.47, 5 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-(trifluoromethoxy)-4-pyridinyl]methyl]piperidin-1-yl]ethyl]-2,3-dihydro-[1,4]dioxino[2,3-b]pyridine is sourced from PubChem (CID 146286208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).