(1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol

C13H19FN2O3S — CID 63371860

IUPAC(1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H19FN2O3S/c1-10(17)13-11(14)4-3-5-12(13)15-6-8-16(9-7-15)20(2,18)19/h3-5,10,17H,6-9H2,1-2H3/t10-/m1/s1
InChIKeyLQNKHOOUQHLWNL-SNVBAGLBSA-N
MW302.37 g/mol
LogP0.96
Rot. Bonds3

About (1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol

(1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol (PubChem CID 63371860) has the molecular formula C13H19FN2O3S and a molecular weight of 302.37 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol
PubChem CID63371860
Molecular FormulaC13H19FN2O3S
Molecular Weight302.37 g/mol
Exact Mass302.11
IUPAC Name(1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol
SMILESC[C@@H](O)c1c(F)cccc1N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C13H19FN2O3S/c1-10(17)13-11(14)4-3-5-12(13)15-6-8-16(9-7-15)20(2,18)19/h3-5,10,17H,6-9H2,1-2H3/t10-/m1/s1
InChIKeyLQNKHOOUQHLWNL-SNVBAGLBSA-N
XLogP0.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanamine
CID 62993795
(1R)-1-[2-fluoro-6-(4-methylpiperazin-1-yl)phenyl]ethanol
CID 63371574
(1R)-1-(2-fluoro-6-pyrrolidin-1-ylphenyl)ethanol
CID 63371551
(1S)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 78939415
(1R)-1-[2-(azocan-1-yl)-6-fluorophenyl]ethanol
CID 55183727
(1S)-1-(2-fluoro-6-thiomorpholin-4-ylphenyl)ethanol
CID 78939436
ethyl 4-[3-fluoro-2-(1-hydroxyethyl)phenyl]piperazine-1-carboxylate
CID 107877235
1-[3-fluoro-2-[(1S)-1-hydroxyethyl]phenyl]piperidine-4-carboxamide
CID 78939276
(1S)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
CID 78940212
(1R)-1-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-6-fluorophenyl]ethanol
CID 63371168
1-[2-(4-ethylpiperidin-1-yl)-6-fluorophenyl]ethanol
CID 61421255
1-[3-fluoro-2-[(1R)-1-hydroxyethyl]phenyl]-1,4-diazepan-5-one
CID 78941119

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol?
The IUPAC name of (1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol (CID 63371860) is (1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol is C[C@@H](O)c1c(F)cccc1N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of (1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol?
The InChIKey is LQNKHOOUQHLWNL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19FN2O3S/c1-10(17)13-11(14)4-3-5-12(13)15-6-8-16(9-7-15)20(2,18)19/h3-5,10,17H,6-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol?
(1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol has a molecular weight of 302.37 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-6-(4-methylsulfonylpiperazin-1-yl)phenyl]ethanol is sourced from PubChem (CID 63371860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).