2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol

C22H27N3O2 — CID 3754494

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol
SMILESCOc1ccccc1N1CCN(CC(O)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C22H27N3O2/c1-16-22(17-7-3-4-8-18(17)23-16)20(26)15-24-11-13-25(14-12-24)19-9-5-6-10-21(19)27-2/h3-10,20,23,26H,11-15H2,1-2H3
InChIKeyGSACFOBMCUZWBH-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.34
Rot. Bonds5

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol

2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol (PubChem CID 3754494) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol
PubChem CID3754494
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol
SMILESCOc1ccccc1N1CCN(CC(O)c2c(C)[nH]c3ccccc23)CC1
InChIInChI=1S/C22H27N3O2/c1-16-22(17-7-3-4-8-18(17)23-16)20(26)15-24-11-13-25(14-12-24)19-9-5-6-10-21(19)27-2/h3-10,20,23,26H,11-15H2,1-2H3
InChIKeyGSACFOBMCUZWBH-UHFFFAOYSA-N
XLogP3.34
TPSA51.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-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-fluorophenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol
CID 46966093
(1S)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol
CID 2030937
(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586351
(1R)-1-(2,5-dimethyl-1H-indol-3-yl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 92736497
(1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol
CID 92600875
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol
CID 132545764
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
1-[4-(2-methoxyphenyl)piperazin-1-yl]octan-2-ol
CID 110181232
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(2-methyl-1H-indol-3-yl)cyclopropyl]methanone
CID 113211732
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol (CID 3754494) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol is COc1ccccc1N1CCN(CC(O)c2c(C)[nH]c3ccccc23)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol?
The InChIKey is GSACFOBMCUZWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-22(17-7-3-4-8-18(17)23-16)20(26)15-24-11-13-25(14-12-24)19-9-5-6-10-21(19)27-2/h3-10,20,23,26H,11-15H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol has a molecular weight of 365.48 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol is sourced from PubChem (CID 3754494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).