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

C15H19BrN2O2 — CID 116986381

IUPAC3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine
SMILESCN1CCNC(c2c3c(c(Br)c4c2OCC4)OCC3)C1
InChIInChI=1S/C15H19BrN2O2/c1-18-5-4-17-11(8-18)12-9-2-6-20-15(9)13(16)10-3-7-19-14(10)12/h11,17H,2-8H2,1H3
InChIKeyLGHWBDIJPOIDQM-UHFFFAOYSA-N
MW339.23 g/mol
LogP1.89
Rot. Bonds1

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

3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine (PubChem CID 116986381) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine.

Molecular Properties

Compound Name3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine
PubChem CID116986381
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine
SMILESCN1CCNC(c2c3c(c(Br)c4c2OCC4)OCC3)C1
InChIInChI=1S/C15H19BrN2O2/c1-18-5-4-17-11(8-18)12-9-2-6-20-15(9)13(16)10-3-7-19-14(10)12/h11,17H,2-8H2,1H3
InChIKeyLGHWBDIJPOIDQM-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine?
The IUPAC name of 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine (CID 116986381) is 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine.
What is the SMILES notation for 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine?
The canonical SMILES for 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine is CN1CCNC(c2c3c(c(Br)c4c2OCC4)OCC3)C1.
What is the InChIKey of 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine?
The InChIKey is LGHWBDIJPOIDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-18-5-4-17-11(8-18)12-9-2-6-20-15(9)13(16)10-3-7-19-14(10)12/h11,17H,2-8H2,1H3.
What are the key properties of 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine?
3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine has a molecular weight of 339.23 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)-1-methylpiperazine is sourced from PubChem (CID 116986381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).