2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol

C20H26N2O3S — CID 68909683

IUPAC2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(O)c3ccccc3)C[C@H]2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-16-8-10-19(11-9-16)26(24,25)22-13-12-21(14-17(22)2)15-20(23)18-6-4-3-5-7-18/h3-11,17,20,23H,12-15H2,1-2H3/t17-,20?/m1/s1
InChIKeyNRAPICVZAOLTHL-DIAVIDTQSA-N
MW374.51 g/mol
LogP2.42
Rot. Bonds5

About 2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol

2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol (PubChem CID 68909683) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
PubChem CID68909683
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
SMILESCc1ccc(S(=O)(=O)N2CCN(CC(O)c3ccccc3)C[C@H]2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-16-8-10-19(11-9-16)26(24,25)22-13-12-21(14-17(22)2)15-20(23)18-6-4-3-5-7-18/h3-11,17,20,23H,12-15H2,1-2H3/t17-,20?/m1/s1
InChIKeyNRAPICVZAOLTHL-DIAVIDTQSA-N
XLogP2.42
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-phenylmethanol
CID 71665857
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
(R)-[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-phenylmethanol
CID 11659970
(1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol
CID 95322467
(1S)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 9248105
3-[(3R)-4-[(2S)-2-hydroxy-2-phenylethyl]-3-methylpiperazin-1-yl]propane-1-sulfonamide
CID 100843328
(2S)-1-[(3S)-4-(furan-2-ylsulfonyl)-3-methylpiperazin-1-yl]propan-2-ol
CID 100909732
1-[4-(benzenesulfonyl)-3-methylpiperazin-1-yl]ethanone
CID 170409197
(2S)-1-(benzenesulfonyl)-4-[(3-chlorophenyl)methyl]-2-methylpiperazine
CID 175257353
1-(benzenesulfonyl)-2-methyl-4-phenylpiperazine
CID 110707939
[(2R)-1-(4-methylphenyl)sulfonylaziridin-2-yl]methanol
CID 15202390
2-chloro-1-[5-methyl-3-(4-methylphenyl)sulfonyl-2-phenylimidazolidin-1-yl]ethanone
CID 17371182

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol (CID 68909683) is 2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol is Cc1ccc(S(=O)(=O)N2CCN(CC(O)c3ccccc3)C[C@H]2C)cc1.
What is the InChIKey of 2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
The InChIKey is NRAPICVZAOLTHL-DIAVIDTQSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16-8-10-19(11-9-16)26(24,25)22-13-12-21(14-17(22)2)15-20(23)18-6-4-3-5-7-18/h3-11,17,20,23H,12-15H2,1-2H3/t17-,20?/m1/s1.
What are the key properties of 2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol?
2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol has a molecular weight of 374.51 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 68909683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).