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

C28H31N3O2 — CID 132545764

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol
SMILESCOc1ccccc1N1CCN(CC(O)c2cn(-c3ccc(C)cc3)c3ccccc23)CC1
InChIInChI=1S/C28H31N3O2/c1-21-11-13-22(14-12-21)31-19-24(23-7-3-4-8-25(23)31)27(32)20-29-15-17-30(18-16-29)26-9-5-6-10-28(26)33-2/h3-14,19,27,32H,15-18,20H2,1-2H3
InChIKeyJEWXIXIRDDHPFI-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.80
Rot. Bonds6

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

2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol (PubChem CID 132545764) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol
PubChem CID132545764
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol
SMILESCOc1ccccc1N1CCN(CC(O)c2cn(-c3ccc(C)cc3)c3ccccc23)CC1
InChIInChI=1S/C28H31N3O2/c1-21-11-13-22(14-12-21)31-19-24(23-7-3-4-8-25(23)31)27(32)20-29-15-17-30(18-16-29)26-9-5-6-10-28(26)33-2/h3-14,19,27,32H,15-18,20H2,1-2H3
InChIKeyJEWXIXIRDDHPFI-UHFFFAOYSA-N
XLogP4.80
TPSA40.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)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

(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586351
(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-(2-methyl-1H-indol-3-yl)ethanol
CID 3754494
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 16813381
1-(2,5-dimethoxyphenyl)-2-[4-(4-methylphenyl)piperazin-1-yl]ethanol
CID 53180201
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
1-(2-methoxyphenyl)-4-[2-(4-methylphenoxy)-2-phenylethyl]piperazine
CID 58057984
1-(dimethylamino)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 18714192
1-(3,5-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 5182260
(2R)-2-fluoro-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 86339195
1-(2,4-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 24761594

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol (CID 132545764) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol is COc1ccccc1N1CCN(CC(O)c2cn(-c3ccc(C)cc3)c3ccccc23)CC1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol?
The InChIKey is JEWXIXIRDDHPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-21-11-13-22(14-12-21)31-19-24(23-7-3-4-8-25(23)31)27(32)20-29-15-17-30(18-16-29)26-9-5-6-10-28(26)33-2/h3-14,19,27,32H,15-18,20H2,1-2H3.
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol has a molecular weight of 441.58 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol is sourced from PubChem (CID 132545764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).