[1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol

C12H16FNOS — CID 143457197

IUPAC[1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol
SMILESOCC1CCN(Sc2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FNOS/c13-11-1-3-12(4-2-11)16-14-7-5-10(9-15)6-8-14/h1-4,10,15H,5-9H2
InChIKeySVAHIEWSMLXHHH-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.54
Rot. Bonds3

About [1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol

[1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol (PubChem CID 143457197) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is [1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol
PubChem CID143457197
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name[1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol
SMILESOCC1CCN(Sc2ccc(F)cc2)CC1
InChIInChI=1S/C12H16FNOS/c13-11-1-3-12(4-2-11)16-14-7-5-10(9-15)6-8-14/h1-4,10,15H,5-9H2
InChIKeySVAHIEWSMLXHHH-UHFFFAOYSA-N
XLogP2.54
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-(4-Fluorophenylsulfonyl)piperidin-3-yl)methanol
CID 3245709
1-(4-Fluorophenyl)sulfanyl-4-methylpiperidine
CID 143539502
1-[1-(3-Fluorophenyl)sulfanylpiperidin-4-yl]ethenol
CID 177183419
[1-(4-Fluorophenyl)sulfonylpiperidin-4-yl]methanol
CID 28345410
[1-(4-Fluoro-3-methylphenyl)sulfonylpiperidin-4-yl]methanol
CID 28345418
[1-(4-Fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methanol
CID 28345419
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371
[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 40469316
[(3R)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 40469317
[1-(2-Fluorophenyl)sulfonylpiperidin-4-yl]methanol
CID 43453697
(1-((3-Fluorophenyl)sulfonyl)piperidin-3-yl)methanol
CID 43589615
[1-(2-Fluorophenyl)sulfonylpiperidin-3-yl]methanol
CID 43589618

Frequently Asked Questions

What is the IUPAC name of [1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol?
The IUPAC name of [1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol (CID 143457197) is [1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol.
What is the SMILES notation for [1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol?
The canonical SMILES for [1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol is OCC1CCN(Sc2ccc(F)cc2)CC1.
What is the InChIKey of [1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol?
The InChIKey is SVAHIEWSMLXHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c13-11-1-3-12(4-2-11)16-14-7-5-10(9-15)6-8-14/h1-4,10,15H,5-9H2.
What are the key properties of [1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol?
[1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol has a molecular weight of 241.33 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-fluorophenyl)sulfanylpiperidin-4-yl]methanol is sourced from PubChem (CID 143457197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).