(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol

C22H27N3O2 — CID 51586351

IUPAC(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
SMILESCOc1ccccc1N1CCN(C[C@H](O)c2c[nH]c3ccc(C)cc23)CC1
InChIInChI=1S/C22H27N3O2/c1-16-7-8-19-17(13-16)18(14-23-19)21(26)15-24-9-11-25(12-10-24)20-5-3-4-6-22(20)27-2/h3-8,13-14,21,23,26H,9-12,15H2,1-2H3/t21-/m0/s1
InChIKeyXYIUZWNALNLMEH-NRFANRHFSA-N
MW365.48 g/mol
LogP3.34
Rot. Bonds5

About (1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol

(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol (PubChem CID 51586351) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
PubChem CID51586351
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
SMILESCOc1ccccc1N1CCN(C[C@H](O)c2c[nH]c3ccc(C)cc23)CC1
InChIInChI=1S/C22H27N3O2/c1-16-7-8-19-17(13-16)18(14-23-19)21(26)15-24-9-11-25(12-10-24)20-5-3-4-6-22(20)27-2/h3-8,13-14,21,23,26H,9-12,15H2,1-2H3/t21-/m0/s1
InChIKeyXYIUZWNALNLMEH-NRFANRHFSA-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

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Related Compounds

(1S)-2-[4-(2,4-difluorophenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586347
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 2037410
(1R)-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-1-(5-fluoro-1H-indol-3-yl)ethanol
CID 92556048
1-(5-fluoro-1H-indol-3-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]ethanol
CID 50748235
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol
CID 132545764
(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
(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
CID 2003978
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 919244
(1R)-1-(5-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanol
CID 92736475
3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-6-methyl-1H-quinolin-4-one
CID 15675285
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 (1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol?
The IUPAC name of (1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol (CID 51586351) is (1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol.
What is the SMILES notation for (1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol?
The canonical SMILES for (1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol is COc1ccccc1N1CCN(C[C@H](O)c2c[nH]c3ccc(C)cc23)CC1.
What is the InChIKey of (1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol?
The InChIKey is XYIUZWNALNLMEH-NRFANRHFSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-7-8-19-17(13-16)18(14-23-19)21(26)15-24-9-11-25(12-10-24)20-5-3-4-6-22(20)27-2/h3-8,13-14,21,23,26H,9-12,15H2,1-2H3/t21-/m0/s1.
What are the key properties of (1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol?
(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-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 (1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol is sourced from PubChem (CID 51586351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).