1-(1-benzofuran-7-yl)-4-methylpiperazine

C13H16N2O — CID 14960343

IUPAC1-(1-benzofuran-7-yl)-4-methylpiperazine
SMILESCN1CCN(c2cccc3ccoc23)CC1
InChIInChI=1S/C13H16N2O/c1-14-6-8-15(9-7-14)12-4-2-3-11-5-10-16-13(11)12/h2-5,10H,6-9H2,1H3
InChIKeyWVJLZVJDZRVJOA-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.18
Rot. Bonds1

About 1-(1-benzofuran-7-yl)-4-methylpiperazine

1-(1-benzofuran-7-yl)-4-methylpiperazine (PubChem CID 14960343) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)-4-methylpiperazine
PubChem CID14960343
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(1-benzofuran-7-yl)-4-methylpiperazine
SMILESCN1CCN(c2cccc3ccoc23)CC1
InChIInChI=1S/C13H16N2O/c1-14-6-8-15(9-7-14)12-4-2-3-11-5-10-16-13(11)12/h2-5,10H,6-9H2,1H3
InChIKeyWVJLZVJDZRVJOA-UHFFFAOYSA-N
XLogP2.18
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-7-yl)-4-methylpiperazine?
The IUPAC name of 1-(1-benzofuran-7-yl)-4-methylpiperazine (CID 14960343) is 1-(1-benzofuran-7-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(1-benzofuran-7-yl)-4-methylpiperazine?
The canonical SMILES for 1-(1-benzofuran-7-yl)-4-methylpiperazine is CN1CCN(c2cccc3ccoc23)CC1.
What is the InChIKey of 1-(1-benzofuran-7-yl)-4-methylpiperazine?
The InChIKey is WVJLZVJDZRVJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-14-6-8-15(9-7-14)12-4-2-3-11-5-10-16-13(11)12/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-(1-benzofuran-7-yl)-4-methylpiperazine?
1-(1-benzofuran-7-yl)-4-methylpiperazine has a molecular weight of 216.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-7-yl)-4-methylpiperazine is sourced from PubChem (CID 14960343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).