1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine

C18H27FN2O2S — CID 46287365

IUPAC1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1
InChIInChI=1S/C18H27FN2O2S/c1-15-5-9-20(10-6-15)14-16-7-11-21(12-8-16)24(22,23)18-4-2-3-17(19)13-18/h2-4,13,15-16H,5-12,14H2,1H3
InChIKeyOCRNAHDUXFFZSR-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.96
Rot. Bonds4

About 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine

1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine (PubChem CID 46287365) has the molecular formula C18H27FN2O2S and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
PubChem CID46287365
Molecular FormulaC18H27FN2O2S
Molecular Weight354.49 g/mol
Exact Mass354.18
IUPAC Name1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1
InChIInChI=1S/C18H27FN2O2S/c1-15-5-9-20(10-6-15)14-16-7-11-21(12-8-16)24(22,23)18-4-2-3-17(19)13-18/h2-4,13,15-16H,5-12,14H2,1H3
InChIKeyOCRNAHDUXFFZSR-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine 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

4-Methyl-1-(phenylsulfonyl)piperidine
CID 761422
4-Methyl-1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 2911561
N-(dipiperidin-1-yl-lambda~4~-sulfanylidene)benzenesulfonamide
CID 2830961
[1-(Phenylsulfonyl)-4-piperidinyl](piperidino)methanone
CID 1084367
2,4-difluoro-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 2471805
4-Methyl-1-[4-(pyrrolidine-1-sulfonyl)-benzenesulfonyl]-piperidine
CID 1166972
4-Methyl-1'-(4-trifluoromethyl-benzenesulfonyl)-[1,4']bipiperidinyl
CID 1433359
4-Methyl-1'-(phenylsulfonyl)-1,4'-bipiperidine
CID 118308417
1-[1-[4-(2-Fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 118314270
1-[1-[3-(2-Fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138627963
1-[1-[3-(4-Fluorophenyl)phenyl]sulfonylpiperidin-4-yl]-4-methylpiperidine
CID 138627969
4-Methyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 141659835

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine (CID 46287365) is 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine is CC1CCN(CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1.
What is the InChIKey of 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The InChIKey is OCRNAHDUXFFZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2S/c1-15-5-9-20(10-6-15)14-16-7-11-21(12-8-16)24(22,23)18-4-2-3-17(19)13-18/h2-4,13,15-16H,5-12,14H2,1H3.
What are the key properties of 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine has a molecular weight of 354.49 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine is sourced from PubChem (CID 46287365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).