(1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol

C19H26N2O2S — CID 92600875

IUPAC(1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccccc1N1CCN(C[C@@H](O)c2cc(C)sc2C)CC1
InChIInChI=1S/C19H26N2O2S/c1-14-12-16(15(2)24-14)18(22)13-20-8-10-21(11-9-20)17-6-4-5-7-19(17)23-3/h4-7,12,18,22H,8-11,13H2,1-3H3/t18-/m1/s1
InChIKeyNULXQZUZEIMSGK-GOSISDBHSA-N
MW346.50 g/mol
LogP3.23
Rot. Bonds5

About (1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol

(1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol (PubChem CID 92600875) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol
PubChem CID92600875
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Name(1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol
SMILESCOc1ccccc1N1CCN(C[C@@H](O)c2cc(C)sc2C)CC1
InChIInChI=1S/C19H26N2O2S/c1-14-12-16(15(2)24-14)18(22)13-20-8-10-21(11-9-20)17-6-4-5-7-19(17)23-3/h4-7,12,18,22H,8-11,13H2,1-3H3/t18-/m1/s1
InChIKeyNULXQZUZEIMSGK-GOSISDBHSA-N
XLogP3.23
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586351
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(2,5-dimethylthiophen-3-yl)ethanol
CID 46966117
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(2-methyl-1H-indol-3-yl)ethanol
CID 3754494
2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-[1-(4-methylphenyl)indol-3-yl]ethanol
CID 132545764
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-methylbutan-2-amine
CID 43199804
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
(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 829697
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-2-ol
CID 20535825
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol (CID 92600875) is (1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol is COc1ccccc1N1CCN(C[C@@H](O)c2cc(C)sc2C)CC1.
What is the InChIKey of (1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol?
The InChIKey is NULXQZUZEIMSGK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-14-12-16(15(2)24-14)18(22)13-20-8-10-21(11-9-20)17-6-4-5-7-19(17)23-3/h4-7,12,18,22H,8-11,13H2,1-3H3/t18-/m1/s1.
What are the key properties of (1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol?
(1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol has a molecular weight of 346.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethylthiophen-3-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 92600875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).