3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine

C17H18BrNO2 — CID 115010407

IUPAC3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine
SMILESCc1cc2c(C3CCCNC3)c3oc(C)cc3c(Br)c2o1
InChIInChI=1S/C17H18BrNO2/c1-9-6-12-14(11-4-3-5-19-8-11)16-13(7-10(2)20-16)15(18)17(12)21-9/h6-7,11,19H,3-5,8H2,1-2H3
InChIKeyUKNCALNSDMPJSG-UHFFFAOYSA-N
MW348.24 g/mol
LogP5.03
Rot. Bonds1

About 3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine

3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine (PubChem CID 115010407) has the molecular formula C17H18BrNO2 and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine.

Molecular Properties

Compound Name3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine
PubChem CID115010407
Molecular FormulaC17H18BrNO2
Molecular Weight348.24 g/mol
Exact Mass347.05
IUPAC Name3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine
SMILESCc1cc2c(C3CCCNC3)c3oc(C)cc3c(Br)c2o1
InChIInChI=1S/C17H18BrNO2/c1-9-6-12-14(11-4-3-5-19-8-11)16-13(7-10(2)20-16)15(18)17(12)21-9/h6-7,11,19H,3-5,8H2,1-2H3
InChIKeyUKNCALNSDMPJSG-UHFFFAOYSA-N
XLogP5.03
TPSA38.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.24
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-3,6-dimethoxy-4-methylphenyl)piperidine
CID 117499540
6-bromo-2-methyl-3-piperidin-3-yl-1H-indole
CID 84643993
3-(5-bromo-2-methoxy-3,6-dimethylphenyl)piperidine
CID 117480622
3-(4-bromo-2-methoxy-3,5-dimethylphenyl)piperidine
CID 117480620
3-bromo-5-methyl-4-piperidin-3-ylpyridine
CID 84708530
2-(4-bromo-7-methoxy-2-methyl-1-benzofuran-5-yl)pyrrolidine
CID 117494926
3-(5-bromofuran-2-yl)piperidine
CID 82390955
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
3-(3-bromo-4-methylphenyl)piperidine
CID 82381644
3-(4-methoxyfuro[2,3-f][1]benzofuran-8-yl)piperidine
CID 117431014
3-(3,4-dimethoxy-2,6-dimethylphenyl)piperidine
CID 117376942
(3R)-3-(4-bromo-2-chlorophenyl)piperidine
CID 130852856

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine?
The IUPAC name of 3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine (CID 115010407) is 3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine.
What is the SMILES notation for 3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine?
The canonical SMILES for 3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine is Cc1cc2c(C3CCCNC3)c3oc(C)cc3c(Br)c2o1.
What is the InChIKey of 3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine?
The InChIKey is UKNCALNSDMPJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrNO2/c1-9-6-12-14(11-4-3-5-19-8-11)16-13(7-10(2)20-16)15(18)17(12)21-9/h6-7,11,19H,3-5,8H2,1-2H3.
What are the key properties of 3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine?
3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine has a molecular weight of 348.24 g/mol, XLogP of 5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,6-dimethylfuro[2,3-f][1]benzofuran-8-yl)piperidine is sourced from PubChem (CID 115010407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).