1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine

C21H24N2O2 — CID 11186738

IUPAC1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2coc3ccccc23)CC1
InChIInChI=1S/C21H24N2O2/c1-2-24-21-10-6-4-8-19(21)23-13-11-22(12-14-23)15-17-16-25-20-9-5-3-7-18(17)20/h3-10,16H,2,11-15H2,1H3
InChIKeyAPPRTQWYIGALPQ-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.15
Rot. Bonds5

About 1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine

1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine (PubChem CID 11186738) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine
PubChem CID11186738
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine
SMILESCCOc1ccccc1N1CCN(Cc2coc3ccccc23)CC1
InChIInChI=1S/C21H24N2O2/c1-2-24-21-10-6-4-8-19(21)23-13-11-22(12-14-23)15-17-16-25-20-9-5-3-7-18(17)20/h3-10,16H,2,11-15H2,1H3
InChIKeyAPPRTQWYIGALPQ-UHFFFAOYSA-N
XLogP4.15
TPSA28.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-ethoxyphenyl)-4-[(2-phenylphenyl)methyl]piperazine
CID 71678171
1-[(2,4-dimethoxy-3-methylphenyl)methyl]-4-(2-ethoxyphenyl)piperazine
CID 1240306
6-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-1,3-benzodioxol-5-ol
CID 4816117
1-(2-ethoxyphenyl)-4-[(2-methoxynaphthalen-1-yl)methyl]piperazine
CID 1376192
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
4-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]phenol
CID 754014
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(6-methoxy-1-benzofuran-3-yl)ethanone
CID 7922202
2-[[4-(2-ethoxyphenyl)piperazin-1-yl]methyl]-6-methoxy-4-methylphenol
CID 71944651
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(2-ethoxyphenyl)piperazine
CID 86795517
1-(2-ethoxyphenyl)-4-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 2812423
1-(2-ethoxyphenyl)-4-[(4-nitrophenyl)methyl]piperazine
CID 791208
1-(2-ethoxyphenyl)-4-[[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 2845250

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine?
The IUPAC name of 1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine (CID 11186738) is 1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine.
What is the SMILES notation for 1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine?
The canonical SMILES for 1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine is CCOc1ccccc1N1CCN(Cc2coc3ccccc23)CC1.
What is the InChIKey of 1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine?
The InChIKey is APPRTQWYIGALPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-24-21-10-6-4-8-19(21)23-13-11-22(12-14-23)15-17-16-25-20-9-5-3-7-18(17)20/h3-10,16H,2,11-15H2,1H3.
What are the key properties of 1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine?
1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine has a molecular weight of 336.44 g/mol, XLogP of 4.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylmethyl)-4-(2-ethoxyphenyl)piperazine is sourced from PubChem (CID 11186738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).