2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone

C19H20FNO2S — CID 111106712

IUPAC2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone
SMILESO=C(C(Sc1ccc(F)cc1)c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C19H20FNO2S/c20-15-6-8-17(9-7-15)24-18(14-4-2-1-3-5-14)19(23)21-12-10-16(22)11-13-21/h1-9,16,18,22H,10-13H2
InChIKeyOXIYALJXRBOTIP-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.64
Rot. Bonds4

About 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone

2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone (PubChem CID 111106712) has the molecular formula C19H20FNO2S and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone
PubChem CID111106712
Molecular FormulaC19H20FNO2S
Molecular Weight345.44 g/mol
Exact Mass345.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone
SMILESO=C(C(Sc1ccc(F)cc1)c1ccccc1)N1CCC(O)CC1
InChIInChI=1S/C19H20FNO2S/c20-15-6-8-17(9-7-15)24-18(14-4-2-1-3-5-14)19(23)21-12-10-16(22)11-13-21/h1-9,16,18,22H,10-13H2
InChIKeyOXIYALJXRBOTIP-UHFFFAOYSA-N
XLogP3.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Morpholin-4-yl-2-phenyl-2-phenylsulfanylethanone
CID 2886349
N,N-diethyl-2-phenyl-2-(phenylsulfanyl)acetamide
CID 2889554
2,6-Dimethyl-4-[phenyl(phenylthio)acetyl]morpholine
CID 2904745
(5R)-5-hydroxy-1-[(3S)-3-phenyl-3-phenylsulfanylpropyl]azepan-2-one
CID 24789395
(5R)-5-hydroxy-1-[(3S)-3-(4-methylphenyl)sulfanyl-3-phenylpropyl]azepan-2-one
CID 24816483
(5S)-5-hydroxy-1-[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]azepan-2-one
CID 24789462
3-Phenyl-3-(phenylsulfanyl)-1-(piperidin-1-yl)propan-1-one
CID 64921
2-(Benzenesulfonyl)-2-phenyl-1-piperidin-1-ylethanone
CID 71901972
3,4-dihydro-1H-isothiochromen-1-yl-(4-hydroxypiperidin-1-yl)methanone
CID 71926368
1-[4-(4-Phenylphenyl)sulfanylpiperidin-1-yl]-2-(2,3,5-trifluorophenyl)ethanone
CID 172433931
2-(2,4-Difluorophenyl)-1-[4-(4-phenylphenyl)sulfanylpiperidin-1-yl]ethanone
CID 172437580
3-(2-fluorophenyl)-1-[(3S)-3-(4-fluorophenyl)sulfonylpiperidin-1-yl]propan-1-one
CID 99882958

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone (CID 111106712) is 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone is O=C(C(Sc1ccc(F)cc1)c1ccccc1)N1CCC(O)CC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone?
The InChIKey is OXIYALJXRBOTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2S/c20-15-6-8-17(9-7-15)24-18(14-4-2-1-3-5-14)19(23)21-12-10-16(22)11-13-21/h1-9,16,18,22H,10-13H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone?
2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone has a molecular weight of 345.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone is sourced from PubChem (CID 111106712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).