2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone

C15H20FNO2S — CID 43421428

IUPAC2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CSCc1ccc(F)cc1)N1CCCCC1CO
InChIInChI=1S/C15H20FNO2S/c16-13-6-4-12(5-7-13)10-20-11-15(19)17-8-2-1-3-14(17)9-18/h4-7,14,18H,1-3,8-11H2
InChIKeyNYPFDQLCYKBPPK-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.43
Rot. Bonds5

About 2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone

2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone (PubChem CID 43421428) has the molecular formula C15H20FNO2S and a molecular weight of 297.39 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
PubChem CID43421428
Molecular FormulaC15H20FNO2S
Molecular Weight297.39 g/mol
Exact Mass297.12
IUPAC Name2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone
SMILESO=C(CSCc1ccc(F)cc1)N1CCCCC1CO
InChIInChI=1S/C15H20FNO2S/c16-13-6-4-12(5-7-13)10-20-11-15(19)17-8-2-1-3-14(17)9-18/h4-7,14,18H,1-3,8-11H2
InChIKeyNYPFDQLCYKBPPK-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-Fluorobenzyl)sulfanyl]-1-(morpholin-4-yl)ethanone
CID 5045199
(3R*,4R*)-4-ethyl-1-{3-[(4-fluorobenzyl)thio]propanoyl}piperidine-3,4-diol
CID 70735599
(1R*,3S*)-7-{3-[(4-fluorobenzyl)thio]propanoyl}-3-methoxy-7-azaspiro[3.5]nonan-1-ol
CID 70770753
2-[(3-Fluorophenyl)methylsulfanyl]-1-morpholin-4-ylethanone
CID 4086807
2-[(2-Fluorophenyl)methylsulfanyl]-1-morpholin-4-ylethanone
CID 4281205
(3R*,4R*)-4-amino-1-[3-(benzylthio)propanoyl]piperidin-3-ol
CID 70724330
N-[2-(4-fluorophenyl)-1-[1-(2-hydroxyethyl)piperidin-4-yl]ethyl]-N-methyl-3-methylsulfanylpropanamide
CID 126464901
N-[(4-fluorophenyl)methyl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]-3-sulfanylpropanamide
CID 56619078
deamino-Cys(Bn)-N(Bn(2-F))Met-ol
CID 56634886
deamino-Cys(Bn)-D-N(Bn(2-F))Met-ol
CID 70546339
6-[(E)-4-(3,4-difluorophenyl)but-1-enyl]-1-[2-(4-hydroxybutylsulfanyl)ethyl]piperidin-2-one
CID 142208654
2-[(4-Fluorophenyl)methylthio]-1-(2-methylpiperidyl)ethan-1-one
CID 6457625

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone (CID 43421428) is 2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone is O=C(CSCc1ccc(F)cc1)N1CCCCC1CO.
What is the InChIKey of 2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
The InChIKey is NYPFDQLCYKBPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2S/c16-13-6-4-12(5-7-13)10-20-11-15(19)17-8-2-1-3-14(17)9-18/h4-7,14,18H,1-3,8-11H2.
What are the key properties of 2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone?
2-[(4-fluorophenyl)methylsulfanyl]-1-[2-(hydroxymethyl)piperidin-1-yl]ethanone has a molecular weight of 297.39 g/mol, XLogP of 2.43, 5 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-[2-(hydroxymethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 43421428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).