1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine

C20H22N2O2 — CID 13020556

IUPAC1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine
SMILESCOc1ccc2oc(-c3ccccc3)c(N3CCN(C)CC3)c2c1
InChIInChI=1S/C20H22N2O2/c1-21-10-12-22(13-11-21)19-17-14-16(23-2)8-9-18(17)24-20(19)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3
InChIKeyGBUAVONLWUOMHL-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.86
Rot. Bonds3

About 1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine

1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine (PubChem CID 13020556) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine
PubChem CID13020556
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine
SMILESCOc1ccc2oc(-c3ccccc3)c(N3CCN(C)CC3)c2c1
InChIInChI=1S/C20H22N2O2/c1-21-10-12-22(13-11-21)19-17-14-16(23-2)8-9-18(17)24-20(19)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3
InChIKeyGBUAVONLWUOMHL-UHFFFAOYSA-N
XLogP3.86
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine?
The IUPAC name of 1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine (CID 13020556) is 1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine?
The canonical SMILES for 1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine is COc1ccc2oc(-c3ccccc3)c(N3CCN(C)CC3)c2c1.
What is the InChIKey of 1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine?
The InChIKey is GBUAVONLWUOMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-21-10-12-22(13-11-21)19-17-14-16(23-2)8-9-18(17)24-20(19)15-6-4-3-5-7-15/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine?
1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine has a molecular weight of 322.41 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-2-phenyl-1-benzofuran-3-yl)-4-methylpiperazine is sourced from PubChem (CID 13020556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).