[2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol

C13H18FNOS — CID 114237383

IUPAC[2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol
SMILESCSC1CCN(c2cccc(F)c2CO)CC1
InChIInChI=1S/C13H18FNOS/c1-17-10-5-7-15(8-6-10)13-4-2-3-12(14)11(13)9-16/h2-4,10,16H,5-9H2,1H3
InChIKeyVFIQJZPPMRRTPB-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.65
Rot. Bonds3

About [2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol

[2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol (PubChem CID 114237383) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is [2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol
PubChem CID114237383
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name[2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol
SMILESCSC1CCN(c2cccc(F)c2CO)CC1
InChIInChI=1S/C13H18FNOS/c1-17-10-5-7-15(8-6-10)13-4-2-3-12(14)11(13)9-16/h2-4,10,16H,5-9H2,1H3
InChIKeyVFIQJZPPMRRTPB-UHFFFAOYSA-N
XLogP2.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-ethylpiperidin-1-yl)-6-fluorophenyl]methanol
CID 114065244
1-[2-(chloromethyl)-3-fluorophenyl]-4-propan-2-ylpiperidine
CID 114065502
[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine
CID 114236471
1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone
CID 114237147
2-[2-(4-methylsulfanylazepan-1-yl)phenyl]ethanamine
CID 114238558
2-[5-fluoro-2-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanamine
CID 114238550
[2-chloro-6-[4-(dimethylamino)piperidin-1-yl]phenyl]methanol
CID 43586235
1-[3-fluoro-2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 114065236
[1-(2-amino-3-fluorophenyl)piperidin-4-yl]methanol
CID 60790060
1-[1-[2-(aminomethyl)-3-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 112624306
[2-chloro-6-(4-propylpiperidin-1-yl)phenyl]methanol
CID 55050268
1-(2,3-difluorophenyl)-4-ethylpiperidine
CID 155298255

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol?
The IUPAC name of [2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol (CID 114237383) is [2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol is CSC1CCN(c2cccc(F)c2CO)CC1.
What is the InChIKey of [2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol?
The InChIKey is VFIQJZPPMRRTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-17-10-5-7-15(8-6-10)13-4-2-3-12(14)11(13)9-16/h2-4,10,16H,5-9H2,1H3.
What are the key properties of [2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol?
[2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol has a molecular weight of 255.36 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(4-methylsulfanylpiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 114237383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).