1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

C17H26N2O2 — CID 66759671

IUPAC1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine
SMILESCCOc1c(C)c(N2CCNCC2)c(C)c2c1OC(C)C2
InChIInChI=1S/C17H26N2O2/c1-5-20-16-13(4)15(19-8-6-18-7-9-19)12(3)14-10-11(2)21-17(14)16/h11,18H,5-10H2,1-4H3
InChIKeyUMMWRBAMAGIRSA-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.44
Rot. Bonds3

About 1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine

1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine (PubChem CID 66759671) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine.

Molecular Properties

Compound Name1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine
PubChem CID66759671
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine
SMILESCCOc1c(C)c(N2CCNCC2)c(C)c2c1OC(C)C2
InChIInChI=1S/C17H26N2O2/c1-5-20-16-13(4)15(19-8-6-18-7-9-19)12(3)14-10-11(2)21-17(14)16/h11,18H,5-10H2,1-4H3
InChIKeyUMMWRBAMAGIRSA-UHFFFAOYSA-N
XLogP2.44
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine?
The IUPAC name of 1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine (CID 66759671) is 1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine.
What is the SMILES notation for 1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine?
The canonical SMILES for 1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine is CCOc1c(C)c(N2CCNCC2)c(C)c2c1OC(C)C2.
What is the InChIKey of 1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine?
The InChIKey is UMMWRBAMAGIRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-5-20-16-13(4)15(19-8-6-18-7-9-19)12(3)14-10-11(2)21-17(14)16/h11,18H,5-10H2,1-4H3.
What are the key properties of 1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine?
1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine has a molecular weight of 290.41 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethoxy-2,4,6-trimethyl-2,3-dihydro-1-benzofuran-5-yl)piperazine is sourced from PubChem (CID 66759671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).