1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine

C22H24N2O — CID 10088157

IUPAC1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine
SMILESc1ccc2c(c1)CC2CCN1CCN(c2cccc3ccoc23)CC1
InChIInChI=1S/C22H24N2O/c1-2-6-20-18(4-1)16-19(20)8-10-23-11-13-24(14-12-23)21-7-3-5-17-9-15-25-22(17)21/h1-7,9,15,19H,8,10-14,16H2
InChIKeyGQQCJXMIPIPVNK-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.28
Rot. Bonds4

About 1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine

1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine (PubChem CID 10088157) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine
PubChem CID10088157
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine
SMILESc1ccc2c(c1)CC2CCN1CCN(c2cccc3ccoc23)CC1
InChIInChI=1S/C22H24N2O/c1-2-6-20-18(4-1)16-19(20)8-10-23-11-13-24(14-12-23)21-7-3-5-17-9-15-25-22(17)21/h1-7,9,15,19H,8,10-14,16H2
InChIKeyGQQCJXMIPIPVNK-UHFFFAOYSA-N
XLogP4.28
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.28
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-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine?
The IUPAC name of 1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine (CID 10088157) is 1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine.
What is the SMILES notation for 1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine?
The canonical SMILES for 1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine is c1ccc2c(c1)CC2CCN1CCN(c2cccc3ccoc23)CC1.
What is the InChIKey of 1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine?
The InChIKey is GQQCJXMIPIPVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-6-20-18(4-1)16-19(20)8-10-23-11-13-24(14-12-23)21-7-3-5-17-9-15-25-22(17)21/h1-7,9,15,19H,8,10-14,16H2.
What are the key properties of 1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine?
1-(1-benzofuran-7-yl)-4-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine has a molecular weight of 332.45 g/mol, XLogP of 4.28, 4 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-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)ethyl]piperazine is sourced from PubChem (CID 10088157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).