8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline

C22H23F2N3O2 — CID 137382694

IUPAC8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline
SMILESCOc1cnc2cccc(OCC3CCN(c4c(F)cc(C)cc4F)CC3)c2n1
InChIInChI=1S/C22H23F2N3O2/c1-14-10-16(23)22(17(24)11-14)27-8-6-15(7-9-27)13-29-19-5-3-4-18-21(19)26-20(28-2)12-25-18/h3-5,10-12,15H,6-9,13H2,1-2H3
InChIKeyZJBMKEFALPDXGT-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.52
Rot. Bonds5

About 8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline

8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline (PubChem CID 137382694) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is 8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline.

Molecular Properties

Compound Name8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline
PubChem CID137382694
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC Name8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline
SMILESCOc1cnc2cccc(OCC3CCN(c4c(F)cc(C)cc4F)CC3)c2n1
InChIInChI=1S/C22H23F2N3O2/c1-14-10-16(23)22(17(24)11-14)27-8-6-15(7-9-27)13-29-19-5-3-4-18-21(19)26-20(28-2)12-25-18/h3-5,10-12,15H,6-9,13H2,1-2H3
InChIKeyZJBMKEFALPDXGT-UHFFFAOYSA-N
XLogP4.52
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-5-fluorophenyl]acetaldehyde
CID 170089604
3-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-(methylaminomethyl)benzaldehyde
CID 137382831
8-(cyclohexylmethoxy)-2-methoxy-1,5-naphthyridine
CID 142884547
2-[1-[2,6-difluoro-4-(6-methoxypyrazin-2-yl)phenyl]piperidin-4-yl]acetic acid
CID 121447400
N-[5-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methylphenyl]-2-phenylacetamide
CID 170089296
4-methoxy-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidine
CID 166605974
4-methoxy-2-[4-(pyrazin-2-yloxymethyl)piperidin-1-yl]-1,3-benzothiazole
CID 154581269
2-methyl-6-[3-[(2-methylphenoxy)methyl]pyrrolidin-1-yl]pyridine
CID 170363947
[1-(3-fluoro-8-methoxyquinolin-4-yl)piperidin-4-yl]methyl-imino-methyl-oxo-λ6-sulfane
CID 166561886
2,4-dimethoxy-6-[4-[(6-methyl-2-pyridinyl)oxymethyl]piperidin-1-yl]-1,3,5-triazine
CID 171705210
N-bromo-N-(2,6-difluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 21081997
[1-[2-hydroxy-2-(3-methoxyquinoxalin-5-yl)ethyl]piperidin-4-yl]carbamic acid
CID 69063193

Frequently Asked Questions

What is the IUPAC name of 8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline?
The IUPAC name of 8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline (CID 137382694) is 8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline.
What is the SMILES notation for 8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline?
The canonical SMILES for 8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline is COc1cnc2cccc(OCC3CCN(c4c(F)cc(C)cc4F)CC3)c2n1.
What is the InChIKey of 8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline?
The InChIKey is ZJBMKEFALPDXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c1-14-10-16(23)22(17(24)11-14)27-8-6-15(7-9-27)13-29-19-5-3-4-18-21(19)26-20(28-2)12-25-18/h3-5,10-12,15H,6-9,13H2,1-2H3.
What are the key properties of 8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline?
8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline has a molecular weight of 399.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(2,6-difluoro-4-methylphenyl)piperidin-4-yl]methoxy]-2-methoxyquinoxaline is sourced from PubChem (CID 137382694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).