4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine

C17H22BrNO2 — CID 115010519

IUPAC4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine
SMILESCC1Cc2c(c(Br)c3c(c2C2CCNCC2)OC(C)C3)O1
InChIInChI=1S/C17H22BrNO2/c1-9-7-12-14(11-3-5-19-6-4-11)16-13(8-10(2)20-16)15(18)17(12)21-9/h9-11,19H,3-8H2,1-2H3
InChIKeyWGZNFSFQAFLTKT-UHFFFAOYSA-N
MW352.27 g/mol
LogP3.56
Rot. Bonds1

About 4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine

4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine (PubChem CID 115010519) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine.

Molecular Properties

Compound Name4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine
PubChem CID115010519
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine
SMILESCC1Cc2c(c(Br)c3c(c2C2CCNCC2)OC(C)C3)O1
InChIInChI=1S/C17H22BrNO2/c1-9-7-12-14(11-3-5-19-6-4-11)16-13(8-10(2)20-16)15(18)17(12)21-9/h9-11,19H,3-8H2,1-2H3
InChIKeyWGZNFSFQAFLTKT-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine with MolForge

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Related Compounds

4-[(2,6,8-trimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)methyl]piperidine
CID 117485706
5-bromo-3-piperidin-4-yl-1,2-oxazole
CID 84726349
4-[(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)methyl]piperidine
CID 117495209
3-(7-bromo-2-methyl-2,3-dihydro-1-benzofuran-5-yl)piperidine
CID 117477291
4-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)piperidine
CID 117116557
2-(5-fluoro-2-methyl-4-piperidin-4-yl-2,3-dihydro-1-benzofuran-7-yl)-6-N-(1-methyl-3-propan-2-ylsulfonylpyrazol-4-yl)-1H-pyrimidine-2,6-diamine
CID 150807684
4-(5-bromofuran-2-yl)piperidine
CID 67469128
1-(4-bromo-7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)ethanone
CID 117458829
4-(3-bromo-4-methoxy-2,6-dimethylphenyl)piperidine
CID 117480591
1-(7-methoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine
CID 66759462
3-bromo-5-fluoro-4-piperidin-4-ylbenzene-1,2-diol
CID 117468437
4-bromo-3-methyl-2-piperidin-4-ylphenol
CID 84712688

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine?
The IUPAC name of 4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine (CID 115010519) is 4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine.
What is the SMILES notation for 4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine?
The canonical SMILES for 4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine is CC1Cc2c(c(Br)c3c(c2C2CCNCC2)OC(C)C3)O1.
What is the InChIKey of 4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine?
The InChIKey is WGZNFSFQAFLTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-9-7-12-14(11-3-5-19-6-4-11)16-13(8-10(2)20-16)15(18)17(12)21-9/h9-11,19H,3-8H2,1-2H3.
What are the key properties of 4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine?
4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine has a molecular weight of 352.27 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2,6-dimethyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)piperidine is sourced from PubChem (CID 115010519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).