1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol

C16H24FNO3S — CID 142832495

IUPAC1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol
SMILESCc1cc(F)ccc1N1CCC(S(=O)(=O)CC(C)(C)O)CC1
InChIInChI=1S/C16H24FNO3S/c1-12-10-13(17)4-5-15(12)18-8-6-14(7-9-18)22(20,21)11-16(2,3)19/h4-5,10,14,19H,6-9,11H2,1-3H3
InChIKeyIRGXPFLWUHUHCR-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.29
Rot. Bonds4

About 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol

1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol (PubChem CID 142832495) has the molecular formula C16H24FNO3S and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol
PubChem CID142832495
Molecular FormulaC16H24FNO3S
Molecular Weight329.44 g/mol
Exact Mass329.15
IUPAC Name1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol
SMILESCc1cc(F)ccc1N1CCC(S(=O)(=O)CC(C)(C)O)CC1
InChIInChI=1S/C16H24FNO3S/c1-12-10-13(17)4-5-15(12)18-8-6-14(7-9-18)22(20,21)11-16(2,3)19/h4-5,10,14,19H,6-9,11H2,1-3H3
InChIKeyIRGXPFLWUHUHCR-UHFFFAOYSA-N
XLogP2.29
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonylethanol
CID 142832465
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-hydroxyethyl)carbamate
CID 69463727
[1-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-(2-methylsulfanylethyl)carbamate
CID 142832613
1-(cyclopropylmethyl)-4-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperazine
CID 133283739
N-[1-[4-fluoro-2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]-N-methylacetamide
CID 133284294
1-(4-fluoro-2-methylphenyl)-N-[(3S)-pyrrolidin-3-yl]piperidin-4-amine
CID 126452733
1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine
CID 101080302
2-amino-N-[1-(4-fluoro-2-methylphenyl)piperidin-3-yl]-2-methylpropanamide;dihydrochloride
CID 119883913
(2S)-2-[[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]amino]-3-phenylpropanamide
CID 131897552

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol?
The IUPAC name of 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol (CID 142832495) is 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol.
What is the SMILES notation for 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol?
The canonical SMILES for 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol is Cc1cc(F)ccc1N1CCC(S(=O)(=O)CC(C)(C)O)CC1.
What is the InChIKey of 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol?
The InChIKey is IRGXPFLWUHUHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3S/c1-12-10-13(17)4-5-15(12)18-8-6-14(7-9-18)22(20,21)11-16(2,3)19/h4-5,10,14,19H,6-9,11H2,1-3H3.
What are the key properties of 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol?
1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluoro-2-methylphenyl)piperidin-4-yl]sulfonyl-2-methylpropan-2-ol is sourced from PubChem (CID 142832495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).