(2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol

C13H20N2O3S — CID 171183294

IUPAC(2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol
SMILESCS(=O)(=O)c1ccc([C@H](CO)N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-19(17,18)12-4-2-11(3-5-12)13(10-16)15-8-6-14-7-9-15/h2-5,13-14,16H,6-10H2,1H3/t13-/m0/s1
InChIKeyPFMIFAXHAVAMPF-ZDUSSCGKSA-N
MW284.38 g/mol
LogP0.03
Rot. Bonds4

About (2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol

(2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol (PubChem CID 171183294) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is (2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol.

Molecular Properties

Compound Name(2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol
PubChem CID171183294
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name(2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol
SMILESCS(=O)(=O)c1ccc([C@H](CO)N2CCNCC2)cc1
InChIInChI=1S/C13H20N2O3S/c1-19(17,18)12-4-2-11(3-5-12)13(10-16)15-8-6-14-7-9-15/h2-5,13-14,16H,6-10H2,1H3/t13-/m0/s1
InChIKeyPFMIFAXHAVAMPF-ZDUSSCGKSA-N
XLogP0.03
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171272714
1-[(1S)-1-(4-methylsulfonylphenyl)butyl]piperazine;dihydrochloride
CID 171272715
1-[(1S)-4,4,4-trifluoro-1-(4-methylsulfonylphenyl)butyl]piperazine
CID 171162701
1-[(1S)-3,3,3-trifluoro-1-(4-methylsulfonylphenyl)propyl]piperazine
CID 171162703
(2R)-2-(4-methylphenyl)-2-piperazin-1-ylethanol
CID 93470965
1-[(1R)-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 93464376
2-(4-fluorophenyl)-2-piperazin-1-ylethanol
CID 11972041
(2R)-2-(4-tert-butylphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183399
(2R)-2-(4-methoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183352
(2S)-2-phenyl-2-piperazin-1-ylethanol;hydrochloride
CID 171183201
N-[4-[(1S)-2-hydroxy-1-piperazin-1-ylethyl]phenyl]acetamide;hydrochloride
CID 171183073
1-[(1R)-2,2,2-trifluoro-1-(4-methylsulfonylphenyl)ethyl]piperazine
CID 171178301

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol?
The IUPAC name of (2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol (CID 171183294) is (2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol.
What is the SMILES notation for (2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol?
The canonical SMILES for (2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol is CS(=O)(=O)c1ccc([C@H](CO)N2CCNCC2)cc1.
What is the InChIKey of (2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol?
The InChIKey is PFMIFAXHAVAMPF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-19(17,18)12-4-2-11(3-5-12)13(10-16)15-8-6-14-7-9-15/h2-5,13-14,16H,6-10H2,1H3/t13-/m0/s1.
What are the key properties of (2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol?
(2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol has a molecular weight of 284.38 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylsulfonylphenyl)-2-piperazin-1-ylethanol is sourced from PubChem (CID 171183294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).