1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone

C14H18FNOS — CID 114237147

IUPAC1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone
SMILESCSC1CCN(c2ccc(C(C)=O)cc2F)CC1
InChIInChI=1S/C14H18FNOS/c1-10(17)11-3-4-14(13(15)9-11)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyHILNIXVSCYWWON-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.36
Rot. Bonds3

About 1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone

1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone (PubChem CID 114237147) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone
PubChem CID114237147
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone
SMILESCSC1CCN(c2ccc(C(C)=O)cc2F)CC1
InChIInChI=1S/C14H18FNOS/c1-10(17)11-3-4-14(13(15)9-11)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3
InChIKeyHILNIXVSCYWWON-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-(4-tert-butylpiperidin-1-yl)-3-fluorophenyl]ethanone
CID 62091090
1-[3-fluoro-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)phenyl]ethanone
CID 63170198
1-[3-fluoro-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]ethanone
CID 66393471
[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]methanamine
CID 114236471
1-[5-fluoro-2-(4-methylsulfanylazepan-1-yl)phenyl]ethanone
CID 114237162
1-[3-fluoro-4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]phenyl]ethanone
CID 133313515
1-[3-fluoro-4-[4-(piperidin-4-ylmethyl)piperazin-1-yl]phenyl]ethanone
CID 120847538
1-[4-[4-(cyclohex-3-ene-1-carbonyl)piperazin-1-yl]-3-fluorophenyl]ethanone
CID 17448030
4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]pyridine-2-carboxamide
CID 133313517
4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide
CID 43056183
4-(4-acetyl-2-fluorophenyl)-N-prop-2-ynylpiperazine-1-carboxamide
CID 17445710
1-[3-fluoro-4-[4-(2-nitrophenyl)piperazin-1-yl]phenyl]ethanone
CID 26447855

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone (CID 114237147) is 1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone is CSC1CCN(c2ccc(C(C)=O)cc2F)CC1.
What is the InChIKey of 1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone?
The InChIKey is HILNIXVSCYWWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c1-10(17)11-3-4-14(13(15)9-11)16-7-5-12(18-2)6-8-16/h3-4,9,12H,5-8H2,1-2H3.
What are the key properties of 1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone?
1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone has a molecular weight of 267.37 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(4-methylsulfanylpiperidin-1-yl)phenyl]ethanone is sourced from PubChem (CID 114237147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).