1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine

C20H24N2O — CID 46890394

IUPAC1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine
SMILESc1ccc(C(Cc2cccc3c2OCC3)N2CCNCC2)cc1
InChIInChI=1S/C20H24N2O/c1-2-5-16(6-3-1)19(22-12-10-21-11-13-22)15-18-8-4-7-17-9-14-23-20(17)18/h1-8,19,21H,9-15H2
InChIKeyJLTIELDULXFJCW-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.81
Rot. Bonds4

About 1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine

1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine (PubChem CID 46890394) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine
PubChem CID46890394
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine
SMILESc1ccc(C(Cc2cccc3c2OCC3)N2CCNCC2)cc1
InChIInChI=1S/C20H24N2O/c1-2-5-16(6-3-1)19(22-12-10-21-11-13-22)15-18-8-4-7-17-9-14-23-20(17)18/h1-8,19,21H,9-15H2
InChIKeyJLTIELDULXFJCW-UHFFFAOYSA-N
XLogP2.81
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine (CID 46890394) is 1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine is c1ccc(C(Cc2cccc3c2OCC3)N2CCNCC2)cc1.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine?
The InChIKey is JLTIELDULXFJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-5-16(6-3-1)19(22-12-10-21-11-13-22)15-18-8-4-7-17-9-14-23-20(17)18/h1-8,19,21H,9-15H2.
What are the key properties of 1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine?
1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine has a molecular weight of 308.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzofuran-7-yl)-1-phenylethyl]piperazine is sourced from PubChem (CID 46890394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).