[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol

C12H16FNO3S — CID 43589618

IUPAC[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1ccccc1F)N1CCCC(CO)C1
InChIInChI=1S/C12H16FNO3S/c13-11-5-1-2-6-12(11)18(16,17)14-7-3-4-10(8-14)9-15/h1-2,5-6,10,15H,3-4,7-9H2
InChIKeyOTOOYVNLDCKDPA-UHFFFAOYSA-N
MW273.33 g/mol
LogP1.22
Rot. Bonds3

About [1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol

[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol (PubChem CID 43589618) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is [1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
PubChem CID43589618
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol
SMILESO=S(=O)(c1ccccc1F)N1CCCC(CO)C1
InChIInChI=1S/C12H16FNO3S/c13-11-5-1-2-6-12(11)18(16,17)14-7-3-4-10(8-14)9-15/h1-2,5-6,10,15H,3-4,7-9H2
InChIKeyOTOOYVNLDCKDPA-UHFFFAOYSA-N
XLogP1.22
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorobenzenesulfonyl)piperidine-3-carboxylic acid
CID 2770512
N-ethyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]benzenesulfonamide
CID 44601996
(1-(4-Fluorophenylsulfonyl)piperidin-3-yl)methanol
CID 3245709
1-Cyclopropyl-2-(4-((2-fluorophenyl)sulfonyl)piperazin-1-yl)ethanol
CID 71783511
{3-Allyl-1-[(2-fluorophenyl)sulfonyl]-3-piperidinyl}methanol
CID 72849284
(1-Tosylpiperidin-3-yl)methanol
CID 3318640
1-[(4-Fluorophenyl)sulfonyl]-3,5-dimethylpiperidine
CID 2843085
1-[(4-Fluorophenyl)sulfonyl]-3-methylpiperidine
CID 2843170
1-(3,4-Difluorophenyl)sulfonylpiperidin-3-ol
CID 6736312
1-(3-Fluorobenzenesulfonyl)piperidine-3-carboxylic acid
CID 16773216
1-(4-Fluoro-2-methylphenyl)sulfonylpiperidin-4-ol
CID 28345247
{3-Benzyl-1-[(2,4-difluorophenyl)sulfonyl]-3-piperidinyl}methanol
CID 45210574

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
The IUPAC name of [1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol (CID 43589618) is [1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
The canonical SMILES for [1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol is O=S(=O)(c1ccccc1F)N1CCCC(CO)C1.
What is the InChIKey of [1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
The InChIKey is OTOOYVNLDCKDPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3S/c13-11-5-1-2-6-12(11)18(16,17)14-7-3-4-10(8-14)9-15/h1-2,5-6,10,15H,3-4,7-9H2.
What are the key properties of [1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol?
[1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol has a molecular weight of 273.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)sulfonylpiperidin-3-yl]methanol is sourced from PubChem (CID 43589618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).