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

C13H16FNO2S — CID 43391812

IUPAC2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C13H16FNO2S/c14-10-1-3-12(4-2-10)18-9-13(17)15-7-5-11(16)6-8-15/h1-4,11,16H,5-9H2
InChIKeyPAODCOOWVVLZNS-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.90
Rot. Bonds3

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

2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 43391812) has the molecular formula C13H16FNO2S and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)ethanone
PubChem CID43391812
Molecular FormulaC13H16FNO2S
Molecular Weight269.34 g/mol
Exact Mass269.09
IUPAC Name2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CSc1ccc(F)cc1)N1CCC(O)CC1
InChIInChI=1S/C13H16FNO2S/c14-10-1-3-12(4-2-10)18-9-13(17)15-7-5-11(16)6-8-15/h1-4,11,16H,5-9H2
InChIKeyPAODCOOWVVLZNS-UHFFFAOYSA-N
XLogP1.90
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

AC1Lgqzx
CID 875426
2-(4-fluorophenyl)sulfanyl-N-methyl-N-(1-methylpiperidin-4-yl)acetamide
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2-((4-fluorophenyl)thio)-N-(3-hydroxy-4,4-dimethylpentyl)acetamide
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3-(Phenylthio)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)propan-1-one
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2-((4-Fluorophenyl)thio)-1-(1-oxa-4-thia-8-azaspiro[4.5]decan-8-yl)ethanone
CID 56764649
3-(4-Fluorophenyl)sulfonyl-1-(4-methoxypiperidin-1-yl)-2-methylpropan-1-one
CID 71856980
4-(4-Fluorophenyl)sulfanylpiperidine-1-carboxylic acid
CID 10637346
Ethyl 4-(4-fluorophenyl)sulfanylpiperidine-1-carboxylate
CID 15389205
2,2,2-Trifluoro-1-(4-phenylsulfanylpiperidin-1-yl)ethanone
CID 18538691
2-(4-Fluorophenyl)sulfanyl-1-piperidin-1-ylethanone
CID 19858420
1-(2-Fluorophenyl)sulfanyl-3-morpholin-4-ylpropan-2-ol
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3-(4-Fluorophenyl)sulfanylpiperidine-1-carboxylic acid
CID 68915030

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)ethanone (CID 43391812) is 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)ethanone is O=C(CSc1ccc(F)cc1)N1CCC(O)CC1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)ethanone?
The InChIKey is PAODCOOWVVLZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2S/c14-10-1-3-12(4-2-10)18-9-13(17)15-7-5-11(16)6-8-15/h1-4,11,16H,5-9H2.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)ethanone?
2-(4-fluorophenyl)sulfanyl-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 269.34 g/mol, XLogP of 1.90, 3 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)ethanone is sourced from PubChem (CID 43391812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).