4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine

C23H31N3O — CID 170140171

About 4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine

4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine (PubChem CID 170140171) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine.

Molecular Properties

• Compound Name: 4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine
• PubChem CID: 170140171
• Molecular Formula: C23H31N3O
• Molecular Weight: 365.52 g/mol
• Exact Mass: 365.25
• IUPAC Name: 4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine
• SMILES: CCC1CN(C(C)c2ccc3c(c2)OCC3)CCN1CCc1cccnc1
• InChI: InChI=1S/C23H31N3O/c1-3-22-17-26(13-12-25(22)11-8-19-5-4-10-24-16-19)18(2)21-7-6-20-9-14-27-23(20)15-21/h4-7,10,15-16,18,22H,3,8-9,11-14,17H2,1-2H3
• InChIKey: MGYBNUXYKULNEP-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 28.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.52
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine?

The IUPAC name of 4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine (CID 170140171) is 4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine.

What is the SMILES notation for 4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine?

The canonical SMILES for 4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine is CCC1CN(C(C)c2ccc3c(c2)OCC3)CCN1CCc1cccnc1.

What is the InChIKey of 4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine?

The InChIKey is MGYBNUXYKULNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-3-22-17-26(13-12-25(22)11-8-19-5-4-10-24-16-19)18(2)21-7-6-20-9-14-27-23(20)15-21/h4-7,10,15-16,18,22H,3,8-9,11-14,17H2,1-2H3.

What are the key properties of 4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine?

4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine has a molecular weight of 365.52 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2,3-dihydro-1-benzofuran-6-yl)ethyl]-2-ethyl-1-(2-pyridin-3-ylethyl)piperazine is sourced from PubChem (CID 170140171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).