(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone

C13H16FNO2S — CID 114237427

IUPAC(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
SMILESCSC1CCN(C(=O)c2ccc(F)cc2O)CC1
InChIInChI=1S/C13H16FNO2S/c1-18-10-4-6-15(7-5-10)13(17)11-3-2-9(14)8-12(11)16/h2-3,8,10,16H,4-7H2,1H3
InChIKeyARWNVKCKSFBUJN-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.50
Rot. Bonds2

About (4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone

(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone (PubChem CID 114237427) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is (4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
PubChem CID114237427
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC Name(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
SMILESCSC1CCN(C(=O)c2ccc(F)cc2O)CC1
InChIInChI=1S/C13H16FNO2S/c1-18-10-4-6-15(7-5-10)13(17)11-3-2-9(14)8-12(11)16/h2-3,8,10,16H,4-7H2,1H3
InChIKeyARWNVKCKSFBUJN-UHFFFAOYSA-N
XLogP2.50
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
1-(4-fluoro-2-hydroxybenzoyl)piperidine-4-carbothioamide
CID 107014936
2-[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]acetic acid
CID 107013711
(4-tert-butylazepan-1-yl)-(4-fluoro-2-hydroxyphenyl)methanone
CID 103830003
[1-(4-fluoro-2-hydroxybenzoyl)piperidin-4-yl]-phenylmethanone
CID 136517088
(4-fluoro-2-hydroxyphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 113346238
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-(4-fluoro-2-hydroxyphenyl)methanone
CID 122138150
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
(4-chloropiperidin-1-yl)-(5-fluoro-2-hydroxyphenyl)methanone
CID 115299535
(2,5-dibromophenyl)-(4-methylsulfanylpiperidin-1-yl)methanone
CID 114237331
(4-fluorophenyl)-(3-methylsulfanylpyrrolidin-1-yl)methanone
CID 72717817
1-(4-fluoro-2-hydroxybenzoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 107013584

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone?
The IUPAC name of (4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone (CID 114237427) is (4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone?
The canonical SMILES for (4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone is CSC1CCN(C(=O)c2ccc(F)cc2O)CC1.
What is the InChIKey of (4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone?
The InChIKey is ARWNVKCKSFBUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2S/c1-18-10-4-6-15(7-5-10)13(17)11-3-2-9(14)8-12(11)16/h2-3,8,10,16H,4-7H2,1H3.
What are the key properties of (4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone?
(4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone has a molecular weight of 269.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-hydroxyphenyl)-(4-methylsulfanylpiperidin-1-yl)methanone is sourced from PubChem (CID 114237427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).