1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine

C18H26N2O — CID 63862790

IUPAC1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine
SMILESCCc1c(C(C)N2CC(C)NC(C)C2)oc2ccccc12
InChIInChI=1S/C18H26N2O/c1-5-15-16-8-6-7-9-17(16)21-18(15)14(4)20-10-12(2)19-13(3)11-20/h6-9,12-14,19H,5,10-11H2,1-4H3
InChIKeyGDUCFXLKKMOQAJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.74
Rot. Bonds3

About 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine

1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine (PubChem CID 63862790) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine.

Molecular Properties

Compound Name1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine
PubChem CID63862790
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine
SMILESCCc1c(C(C)N2CC(C)NC(C)C2)oc2ccccc12
InChIInChI=1S/C18H26N2O/c1-5-15-16-8-6-7-9-17(16)21-18(15)14(4)20-10-12(2)19-13(3)11-20/h6-9,12-14,19H,5,10-11H2,1-4H3
InChIKeyGDUCFXLKKMOQAJ-UHFFFAOYSA-N
XLogP3.74
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine?
The IUPAC name of 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine (CID 63862790) is 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine.
What is the SMILES notation for 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine?
The canonical SMILES for 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine is CCc1c(C(C)N2CC(C)NC(C)C2)oc2ccccc12.
What is the InChIKey of 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine?
The InChIKey is GDUCFXLKKMOQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-5-15-16-8-6-7-9-17(16)21-18(15)14(4)20-10-12(2)19-13(3)11-20/h6-9,12-14,19H,5,10-11H2,1-4H3.
What are the key properties of 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine?
1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine has a molecular weight of 286.42 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-ethyl-1-benzofuran-2-yl)ethyl]-3,5-dimethylpiperazine is sourced from PubChem (CID 63862790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).