(1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol

C16H26N2O3S — CID 95322467

IUPAC(1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol
SMILESC[C@@H]1CN(CCS(C)(=O)=O)CCN1C[C@H](O)c1ccccc1
InChIInChI=1S/C16H26N2O3S/c1-14-12-17(10-11-22(2,20)21)8-9-18(14)13-16(19)15-6-4-3-5-7-15/h3-7,14,16,19H,8-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyZIIYTYRKNOQJQF-ZBFHGGJFSA-N
MW326.46 g/mol
LogP0.77
Rot. Bonds6

About (1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol

(1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol (PubChem CID 95322467) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is (1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol
PubChem CID95322467
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name(1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol
SMILESC[C@@H]1CN(CCS(C)(=O)=O)CCN1C[C@H](O)c1ccccc1
InChIInChI=1S/C16H26N2O3S/c1-14-12-17(10-11-22(2,20)21)8-9-18(14)13-16(19)15-6-4-3-5-7-15/h3-7,14,16,19H,8-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyZIIYTYRKNOQJQF-ZBFHGGJFSA-N
XLogP0.77
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-4-[(2S)-2-hydroxy-2-phenylethyl]-3-methylpiperazin-1-yl]propane-1-sulfonamide
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CID 95350449
(1R)-2-[(2R)-2-methyl-4-(pyridin-3-ylmethyl)piperazin-1-yl]-1-phenylethanol
CID 95336645
(1S)-2-[(2R)-2-methyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 124840043
(1S)-1-(4-chlorophenyl)-2-[(3R)-4-[(2S)-2-(4-chlorophenyl)-2-hydroxyethyl]-3-methylpiperazin-1-yl]ethanol
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(1R)-2-[(2S)-2-methyl-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-1-phenylethanol
CID 98761330
2-[(3R)-3-methyl-4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-phenylethanol
CID 68909683
1-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 95753443
(1S)-2-[(2R)-2,4-dimethylpiperazin-1-yl]-1-(3-fluorophenyl)ethanol
CID 100846119
2-[(2S)-2-methylpiperazin-1-yl]-1-phenylethanol
CID 82755402
3-(3,4-dimethylpiperazin-1-yl)-2-methyl-1-phenylpropan-1-ol
CID 63621095
4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 14472500

Frequently Asked Questions

What is the IUPAC name of (1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol (CID 95322467) is (1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol is C[C@@H]1CN(CCS(C)(=O)=O)CCN1C[C@H](O)c1ccccc1.
What is the InChIKey of (1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol?
The InChIKey is ZIIYTYRKNOQJQF-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-14-12-17(10-11-22(2,20)21)8-9-18(14)13-16(19)15-6-4-3-5-7-15/h3-7,14,16,19H,8-13H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of (1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol?
(1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol has a molecular weight of 326.46 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-[(2R)-2-methyl-4-(2-methylsulfonylethyl)piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 95322467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).