4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane

C92H112F16N8O8 — CID 158128983

IUPAC4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane
SMILESC.C.C.C.Cc1cc([C@@H]2CCCN([C@@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C(F)(F)F)n1.Cc1cc([C@@H]2CCCN([C@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C(F)(F)F)n1.Cc1cc([C@H]2CCCN([C@@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C(F)(F)F)n1.Cc1cc([C@H]2CCCN([C@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C(F)(F)F)n1
InChIInChI=1S/4C22H24F4N2O2.4CH4/c4*1-13-8-16(9-21(27-13)22(24,25)26)15-4-3-5-28(12-15)14(2)17-10-19-20(11-18(17)23)30-7-6-29-19;;;;/h4*8-11,14-15H,3-7,12H2,1-2H3;4*1H4/t2*14-,15+;2*14-,15-;;;;/m1010..../s1
InChIKeyFSNNZESAIWFWAJ-XSSKFNSZSA-N
MW1761.92 g/mol
LogP23.58
Rot. Bonds12

About 4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane

4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane (PubChem CID 158128983) has the molecular formula C92H112F16N8O8 and a molecular weight of 1761.92 g/mol. Its IUPAC name is 4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane.

Molecular Properties

Compound Name4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane
PubChem CID158128983
Molecular FormulaC92H112F16N8O8
Molecular Weight1761.92 g/mol
Exact Mass1760.83
IUPAC Name4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane
SMILESC.C.C.C.Cc1cc([C@@H]2CCCN([C@@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C(F)(F)F)n1.Cc1cc([C@@H]2CCCN([C@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C(F)(F)F)n1.Cc1cc([C@H]2CCCN([C@@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C(F)(F)F)n1.Cc1cc([C@H]2CCCN([C@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C(F)(F)F)n1
InChIInChI=1S/4C22H24F4N2O2.4CH4/c4*1-13-8-16(9-21(27-13)22(24,25)26)15-4-3-5-28(12-15)14(2)17-10-19-20(11-18(17)23)30-7-6-29-19;;;;/h4*8-11,14-15H,3-7,12H2,1-2H3;4*1H4/t2*14-,15+;2*14-,15-;;;;/m1010..../s1
InChIKeyFSNNZESAIWFWAJ-XSSKFNSZSA-N
XLogP23.58
TPSA138.36 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001761.92
LogP ≤ 523.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane with MolForge

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Related Compounds

1-[[4-[5-[(6,7-Dimethoxy-2-methylisoquinolin-2-ium-1-yl)methyl]-2-methoxyphenoxy]phenyl]methyl]-6,7-dimethoxy-2-methylisoquinolin-2-ium;bis(2,2,2-trifluoroacetate)
CID 164620503
2-[[1-[(2-Fluorophenyl)methyl]-4-[(2-methylquinolin-4-yl)oxymethyl]piperidin-3-yl]methyl]-4-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]oxyquinoline
CID 145539182
4-[1-[1-(6-Fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine
CID 146285989
4-[[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146286051
4-[[(3R)-1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 146286053
4-[1-[1-(6-Fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]oxy-2-methyl-6-(trifluoromethyl)pyridine
CID 146286091
N-[[1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridin-4-amine
CID 146286105
4-[[(3R)-1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine
CID 146286109
4-[[1-[1-(6-Fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2-methyl-6-(trifluoromethyl)pyridine
CID 146286110
4-[[(3R)-1-[1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 146286131
4-[[1-[1-(6-Fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]methyl]-2-methoxy-6-methylpyridine
CID 146286133
4-[1-[1-(6-Fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methoxy-6-(trifluoromethyl)pyridine
CID 146286134

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane?
The IUPAC name of 4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane (CID 158128983) is 4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane.
What is the SMILES notation for 4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane?
The canonical SMILES for 4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane is C.C.C.C.Cc1cc([C@@H]2CCCN([C@@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C(F)(F)F)n1.Cc1cc([C@@H]2CCCN([C@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C(F)(F)F)n1.Cc1cc([C@H]2CCCN([C@@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C(F)(F)F)n1.Cc1cc([C@H]2CCCN([C@H](C)c3cc4c(cc3F)OCCO4)C2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane?
The InChIKey is FSNNZESAIWFWAJ-XSSKFNSZSA-N. The full InChI is InChI=1S/4C22H24F4N2O2.4CH4/c4*1-13-8-16(9-21(27-13)22(24,25)26)15-4-3-5-28(12-15)14(2)17-10-19-20(11-18(17)23)30-7-6-29-19;;;;/h4*8-11,14-15H,3-7,12H2,1-2H3;4*1H4/t2*14-,15+;2*14-,15-;;;;/m1010..../s1.
What are the key properties of 4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane?
4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane has a molecular weight of 1761.92 g/mol, XLogP of 23.58, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3R)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1S)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;4-[(3S)-1-[(1R)-1-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)ethyl]piperidin-3-yl]-2-methyl-6-(trifluoromethyl)pyridine;methane is sourced from PubChem (CID 158128983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).