5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one

C12H14FNO2S — CID 121493740

IUPAC5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
SMILESO=C1NCC(SCc2ccc(F)cc2)CC1O
InChIInChI=1S/C12H14FNO2S/c13-9-3-1-8(2-4-9)7-17-10-5-11(15)12(16)14-6-10/h1-4,10-11,15H,5-7H2,(H,14,16)
InChIKeyDHIKKGHIQHIKPJ-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.31
Rot. Bonds3

About 5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one

5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one (PubChem CID 121493740) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
PubChem CID121493740
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one
SMILESO=C1NCC(SCc2ccc(F)cc2)CC1O
InChIInChI=1S/C12H14FNO2S/c13-9-3-1-8(2-4-9)7-17-10-5-11(15)12(16)14-6-10/h1-4,10-11,15H,5-7H2,(H,14,16)
InChIKeyDHIKKGHIQHIKPJ-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one?
The IUPAC name of 5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one (CID 121493740) is 5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one is O=C1NCC(SCc2ccc(F)cc2)CC1O.
What is the InChIKey of 5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one?
The InChIKey is DHIKKGHIQHIKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c13-9-3-1-8(2-4-9)7-17-10-5-11(15)12(16)14-6-10/h1-4,10-11,15H,5-7H2,(H,14,16).
What are the key properties of 5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one?
5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one has a molecular weight of 255.31 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylsulfanyl]-3-hydroxypiperidin-2-one is sourced from PubChem (CID 121493740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).