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

C23H26N2O — CID 10247055

IUPAC1-(1-benzofuran-7-yl)-4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine
SMILESc1ccc2c(c1)CC2CCCN1CCN(c2cccc3ccoc23)CC1
InChIInChI=1S/C23H26N2O/c1-2-8-21-19(5-1)17-20(21)7-4-11-24-12-14-25(15-13-24)22-9-3-6-18-10-16-26-23(18)22/h1-3,5-6,8-10,16,20H,4,7,11-15,17H2
InChIKeyYIZLPTFYJKCMKR-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.67
Rot. Bonds5

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

1-(1-benzofuran-7-yl)-4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine (PubChem CID 10247055) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 1-(1-benzofuran-7-yl)-4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine.

Molecular Properties

Compound Name1-(1-benzofuran-7-yl)-4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine
PubChem CID10247055
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name1-(1-benzofuran-7-yl)-4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine
SMILESc1ccc2c(c1)CC2CCCN1CCN(c2cccc3ccoc23)CC1
InChIInChI=1S/C23H26N2O/c1-2-8-21-19(5-1)17-20(21)7-4-11-24-12-14-25(15-13-24)22-9-3-6-18-10-16-26-23(18)22/h1-3,5-6,8-10,16,20H,4,7,11-15,17H2
InChIKeyYIZLPTFYJKCMKR-UHFFFAOYSA-N
XLogP4.67
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.67
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-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine?
The IUPAC name of 1-(1-benzofuran-7-yl)-4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine (CID 10247055) is 1-(1-benzofuran-7-yl)-4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine.
What is the SMILES notation for 1-(1-benzofuran-7-yl)-4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine?
The canonical SMILES for 1-(1-benzofuran-7-yl)-4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine is c1ccc2c(c1)CC2CCCN1CCN(c2cccc3ccoc23)CC1.
What is the InChIKey of 1-(1-benzofuran-7-yl)-4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine?
The InChIKey is YIZLPTFYJKCMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-2-8-21-19(5-1)17-20(21)7-4-11-24-12-14-25(15-13-24)22-9-3-6-18-10-16-26-23(18)22/h1-3,5-6,8-10,16,20H,4,7,11-15,17H2.
What are the key properties of 1-(1-benzofuran-7-yl)-4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine?
1-(1-benzofuran-7-yl)-4-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine has a molecular weight of 346.47 g/mol, XLogP of 4.67, 5 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-[3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)propyl]piperazine is sourced from PubChem (CID 10247055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).