1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine

C18H26N2O2 — CID 112804969

IUPAC1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine
SMILESCCc1oc2ccccc2c1CN1CCN(CCOC)CC1
InChIInChI=1S/C18H26N2O2/c1-3-17-16(15-6-4-5-7-18(15)22-17)14-20-10-8-19(9-11-20)12-13-21-2/h4-7H,3,8-14H2,1-2H3
InChIKeyJWSZUUVHZBWPCE-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.76
Rot. Bonds6

About 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine

1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine (PubChem CID 112804969) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine.

Molecular Properties

Compound Name1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine
PubChem CID112804969
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine
SMILESCCc1oc2ccccc2c1CN1CCN(CCOC)CC1
InChIInChI=1S/C18H26N2O2/c1-3-17-16(15-6-4-5-7-18(15)22-17)14-20-10-8-19(9-11-20)12-13-21-2/h4-7H,3,8-14H2,1-2H3
InChIKeyJWSZUUVHZBWPCE-UHFFFAOYSA-N
XLogP2.76
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine?
The IUPAC name of 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine (CID 112804969) is 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine.
What is the SMILES notation for 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine?
The canonical SMILES for 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine is CCc1oc2ccccc2c1CN1CCN(CCOC)CC1.
What is the InChIKey of 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine?
The InChIKey is JWSZUUVHZBWPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-3-17-16(15-6-4-5-7-18(15)22-17)14-20-10-8-19(9-11-20)12-13-21-2/h4-7H,3,8-14H2,1-2H3.
What are the key properties of 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine?
1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine has a molecular weight of 302.42 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-(2-methoxyethyl)piperazine is sourced from PubChem (CID 112804969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).