1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine

C16H22N2O — CID 14960348

IUPAC1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(c2cccc3ccoc23)CC1
InChIInChI=1S/C16H22N2O/c1-13(2)12-17-7-9-18(10-8-17)15-5-3-4-14-6-11-19-16(14)15/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyZQAWVHKEOGFWIJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.21
Rot. Bonds3

About 1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine

1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine (PubChem CID 14960348) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine
PubChem CID14960348
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN(c2cccc3ccoc23)CC1
InChIInChI=1S/C16H22N2O/c1-13(2)12-17-7-9-18(10-8-17)15-5-3-4-14-6-11-19-16(14)15/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyZQAWVHKEOGFWIJ-UHFFFAOYSA-N
XLogP3.21
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.21
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-(2-methylpropyl)piperazine?
The IUPAC name of 1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine (CID 14960348) is 1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine is CC(C)CN1CCN(c2cccc3ccoc23)CC1.
What is the InChIKey of 1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine?
The InChIKey is ZQAWVHKEOGFWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(2)12-17-7-9-18(10-8-17)15-5-3-4-14-6-11-19-16(14)15/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of 1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine?
1-(1-benzofuran-7-yl)-4-(2-methylpropyl)piperazine has a molecular weight of 258.37 g/mol, XLogP of 3.21, 3 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-(2-methylpropyl)piperazine is sourced from PubChem (CID 14960348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).