2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone

C14H18FNO2S — CID 43393840

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CSCc1ccc(F)cc1)N1CCCC(O)C1
InChIInChI=1S/C14H18FNO2S/c15-12-5-3-11(4-6-12)9-19-10-14(18)16-7-1-2-13(17)8-16/h3-6,13,17H,1-2,7-10H2
InChIKeyHAMOZCTZVHKVAA-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.04
Rot. Bonds4

About 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone

2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 43393840) has the molecular formula C14H18FNO2S and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID43393840
Molecular FormulaC14H18FNO2S
Molecular Weight283.37 g/mol
Exact Mass283.10
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CSCc1ccc(F)cc1)N1CCCC(O)C1
InChIInChI=1S/C14H18FNO2S/c15-12-5-3-11(4-6-12)9-19-10-14(18)16-7-1-2-13(17)8-16/h3-6,13,17H,1-2,7-10H2
InChIKeyHAMOZCTZVHKVAA-UHFFFAOYSA-N
XLogP2.04
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone (CID 43393840) is 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone is O=C(CSCc1ccc(F)cc1)N1CCCC(O)C1.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is HAMOZCTZVHKVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2S/c15-12-5-3-11(4-6-12)9-19-10-14(18)16-7-1-2-13(17)8-16/h3-6,13,17H,1-2,7-10H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone?
2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 283.37 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylsulfanyl]-1-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 43393840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).