1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol

C17H23NO2 — CID 62123428

IUPAC1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol
SMILESCC1CCCN(CC(O)c2cc3ccccc3o2)C1C
InChIInChI=1S/C17H23NO2/c1-12-6-5-9-18(13(12)2)11-15(19)17-10-14-7-3-4-8-16(14)20-17/h3-4,7-8,10,12-13,15,19H,5-6,9,11H2,1-2H3
InChIKeyABZFCQUZDCCLFE-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.59
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol

1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol (PubChem CID 62123428) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol
PubChem CID62123428
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol
SMILESCC1CCCN(CC(O)c2cc3ccccc3o2)C1C
InChIInChI=1S/C17H23NO2/c1-12-6-5-9-18(13(12)2)11-15(19)17-10-14-7-3-4-8-16(14)20-17/h3-4,7-8,10,12-13,15,19H,5-6,9,11H2,1-2H3
InChIKeyABZFCQUZDCCLFE-UHFFFAOYSA-N
XLogP3.59
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-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-(2,3-dimethylpiperidin-1-yl)-1-naphthalen-2-ylethanol
CID 62122893
1-benzofuran-2-yl-(2-methylcyclopentyl)methanol
CID 107192946
1-(1-benzofuran-2-yl)-2-(2-ethylpiperidin-1-yl)ethanamine
CID 43266458
1-[2-(1-benzofuran-2-yl)-2-hydroxyethyl]-3,4-dimethylpyrrolidine-2,5-dione
CID 79179188
1-(1-benzofuran-2-yl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanol
CID 66372336
(1R)-2-(1-azaspiro[3.3]heptan-1-yl)-1-(1-benzofuran-2-yl)ethanol
CID 154795462
1-(1-benzofuran-2-yl)-2-(6-methylpiperidin-2-yl)ethanol
CID 116685567
1-benzofuran-2-yl-(2-methylcyclopentyl)methanamine
CID 107191076
(1R)-2-[(3aR,6aS)-2,2-dioxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]-1-(1-benzofuran-2-yl)ethanol
CID 136585973
1-benzofuran-2-yl(cyclohexyl)methanol
CID 63090422
1-(1-benzofuran-2-yl)-2-pyrrolidin-2-ylethanol
CID 79559824
1-(1-benzofuran-2-yl)-2-[cyclopentylmethyl(methyl)amino]ethanol
CID 63631810

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol?
The IUPAC name of 1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol (CID 62123428) is 1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol?
The canonical SMILES for 1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol is CC1CCCN(CC(O)c2cc3ccccc3o2)C1C.
What is the InChIKey of 1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol?
The InChIKey is ABZFCQUZDCCLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-6-5-9-18(13(12)2)11-15(19)17-10-14-7-3-4-8-16(14)20-17/h3-4,7-8,10,12-13,15,19H,5-6,9,11H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol?
1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol has a molecular weight of 273.38 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-2-(2,3-dimethylpiperidin-1-yl)ethanol is sourced from PubChem (CID 62123428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).