4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine

C20H24FNO3S — CID 110411627

IUPAC4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine
SMILESCc1ccc(CS(=O)(=O)N2CCC(COc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FNO3S/c1-16-6-8-18(9-7-16)15-26(23,24)22-12-10-17(11-13-22)14-25-20-5-3-2-4-19(20)21/h2-9,17H,10-15H2,1H3
InChIKeyZKTMWHWEEIZTKM-UHFFFAOYSA-N
MW377.48 g/mol
LogP3.75
Rot. Bonds6

About 4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine

4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine (PubChem CID 110411627) has the molecular formula C20H24FNO3S and a molecular weight of 377.48 g/mol. Its IUPAC name is 4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine.

Molecular Properties

Compound Name4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine
PubChem CID110411627
Molecular FormulaC20H24FNO3S
Molecular Weight377.48 g/mol
Exact Mass377.15
IUPAC Name4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine
SMILESCc1ccc(CS(=O)(=O)N2CCC(COc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H24FNO3S/c1-16-6-8-18(9-7-16)15-26(23,24)22-12-10-17(11-13-22)14-25-20-5-3-2-4-19(20)21/h2-9,17H,10-15H2,1H3
InChIKeyZKTMWHWEEIZTKM-UHFFFAOYSA-N
XLogP3.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.48
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine 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-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918
4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine
CID 110411604
3-chloro-4-[[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]methoxy]pyridine
CID 155801188
1-benzylsulfonyl-4-[(4-chlorophenoxy)methyl]piperidine
CID 110639138
1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
CID 110638637
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 55913303
3-methyl-1-[(4-methylphenyl)methylsulfonyl]pyrrolidine
CID 110749809
1-[(4-methylphenyl)methylsulfonyl]-4-pyrazol-1-ylpiperidine
CID 110871226
1-(2-ethoxyphenyl)-4-[(4-fluorophenyl)methylsulfonyl]piperazine
CID 32673178
2-(4-ethoxyphenyl)-1-[4-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 110411560
4-[(3,5-dimethylpyrazol-1-yl)methyl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine
CID 90495604
1-[(4-fluorophenyl)methylsulfonyl]-4-[(2-methylimidazol-1-yl)methyl]piperidine
CID 71781160

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine?
The IUPAC name of 4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine (CID 110411627) is 4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine.
What is the SMILES notation for 4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine?
The canonical SMILES for 4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine is Cc1ccc(CS(=O)(=O)N2CCC(COc3ccccc3F)CC2)cc1.
What is the InChIKey of 4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine?
The InChIKey is ZKTMWHWEEIZTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO3S/c1-16-6-8-18(9-7-16)15-26(23,24)22-12-10-17(11-13-22)14-25-20-5-3-2-4-19(20)21/h2-9,17H,10-15H2,1H3.
What are the key properties of 4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine?
4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine has a molecular weight of 377.48 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine is sourced from PubChem (CID 110411627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).