1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol

C22H28N2O2 — CID 46966484

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol
SMILESCc1ccc(N2CCN(CC(O)c3ccc4c(c3)CCO4)CC2)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-16-3-5-20(17(2)13-16)24-10-8-23(9-11-24)15-21(25)18-4-6-22-19(14-18)7-12-26-22/h3-6,13-14,21,25H,7-12,15H2,1-2H3
InChIKeyZLEVCZOAUPBFFT-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.09
Rot. Bonds4

About 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol

1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol (PubChem CID 46966484) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol
PubChem CID46966484
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol
SMILESCc1ccc(N2CCN(CC(O)c3ccc4c(c3)CCO4)CC2)c(C)c1
InChIInChI=1S/C22H28N2O2/c1-16-3-5-20(17(2)13-16)24-10-8-23(9-11-24)15-21(25)18-4-6-22-19(14-18)7-12-26-22/h3-6,13-14,21,25H,7-12,15H2,1-2H3
InChIKeyZLEVCZOAUPBFFT-UHFFFAOYSA-N
XLogP3.09
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol 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

2-[4-(2-chlorophenyl)piperazin-1-yl]-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 16673733
2,3-dihydro-1-benzofuran-5-yl-(2,4,6-trimethylphenyl)methanol
CID 61100080
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(4-methylphenyl)ethanol
CID 63192897
1-(2,3-dihydro-1-benzofuran-5-yl)butan-1-ol
CID 61100081
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-methylphenyl)ethanol
CID 61100428
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(5-methyl-2-pyridinyl)ethanol
CID 66461322
1-(2,3-dihydro-1-benzofuran-5-yl)-3-(3-methylphenyl)propan-1-ol
CID 105125289
5-[chloro-(2,4-dimethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63429922
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
1-(2,3-dihydro-1-benzofuran-5-yl)hexan-1-ol
CID 61099251

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol (CID 46966484) is 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol is Cc1ccc(N2CCN(CC(O)c3ccc4c(c3)CCO4)CC2)c(C)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol?
The InChIKey is ZLEVCZOAUPBFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-3-5-20(17(2)13-16)24-10-8-23(9-11-24)15-21(25)18-4-6-22-19(14-18)7-12-26-22/h3-6,13-14,21,25H,7-12,15H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol?
1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol has a molecular weight of 352.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 46966484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).