2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol

C14H20FNO3S — CID 142832465

IUPAC2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol
SMILESCc1cc(F)ccc1N1CCC(S(=O)(=O)CCO)CC1
InChIInChI=1S/C14H20FNO3S/c1-11-10-12(15)2-3-14(11)16-6-4-13(5-7-16)20(18,19)9-8-17/h2-3,10,13,17H,4-9H2,1H3
InChIKeyKMSGYWNGNBGZOI-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.51
Rot. Bonds4

About 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol

2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol (PubChem CID 142832465) has the molecular formula C14H20FNO3S and a molecular weight of 301.38 g/mol. Its IUPAC name is 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol.

Molecular Properties

Compound Name2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol
PubChem CID142832465
Molecular FormulaC14H20FNO3S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol
SMILESCc1cc(F)ccc1N1CCC(S(=O)(=O)CCO)CC1
InChIInChI=1S/C14H20FNO3S/c1-11-10-12(15)2-3-14(11)16-6-4-13(5-7-16)20(18,19)9-8-17/h2-3,10,13,17H,4-9H2,1H3
InChIKeyKMSGYWNGNBGZOI-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol
CID 142832495
[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-hydroxyethyl)carbamate
CID 69463727
methyl 1-(4-fluoro-2-methylphenyl)piperidine-4-carboxylate
CID 143163523
1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]-3-(methylsulfonylmethyl)piperidine
CID 134710382
1-(4-fluoro-2-methylphenyl)piperidine;methanol
CID 159526986
[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate
CID 142832613
1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine
CID 126452733
(2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide
CID 131897552
2-[3-methyl-4-(4-methylpiperidin-1-yl)phenyl]ethanol
CID 82290403
1-(4-fluoro-2-methylphenyl)piperidin-3-amine
CID 54594111
1-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-3-(5-hydroxypentan-2-yl)urea
CID 71921543
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]acetamide
CID 119883950

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol?
The IUPAC name of 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol (CID 142832465) is 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol.
What is the SMILES notation for 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol?
The canonical SMILES for 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol is Cc1cc(F)ccc1N1CCC(S(=O)(=O)CCO)CC1.
What is the InChIKey of 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol?
The InChIKey is KMSGYWNGNBGZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S/c1-11-10-12(15)2-3-14(11)16-6-4-13(5-7-16)20(18,19)9-8-17/h2-3,10,13,17H,4-9H2,1H3.
What are the key properties of 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol?
2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol has a molecular weight of 301.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol is sourced from PubChem (CID 142832465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).