1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine

C19H22FNO3S — CID 46086751

IUPAC1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H22FNO3S/c1-24-18-7-5-15(6-8-18)13-16-9-11-21(12-10-16)25(22,23)19-4-2-3-17(20)14-19/h2-8,14,16H,9-13H2,1H3
InChIKeyKOMZWCGDANZKAV-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.48
Rot. Bonds5

About 1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine

1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine (PubChem CID 46086751) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine
PubChem CID46086751
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H22FNO3S/c1-24-18-7-5-15(6-8-18)13-16-9-11-21(12-10-16)25(22,23)19-4-2-3-17(20)14-19/h2-8,14,16H,9-13H2,1H3
InChIKeyKOMZWCGDANZKAV-UHFFFAOYSA-N
XLogP3.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)sulfonyl-4-[4-[4-(methoxymethyl)phenyl]phenoxy]piperidine
CID 24732947
1-(3-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)azepane
CID 121147259
1-(3-fluorophenyl)sulfonyl-4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium
CID 8966240
4-(3-fluorophenyl)sulfonyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide
CID 8681189
1-(3-fluorophenyl)sulfonyl-4-methylsulfonylpiperidine
CID 90585208
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 9369904
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methoxyphenoxy)butan-1-one
CID 24687869
3-(chloromethyl)-1-(3-fluorophenyl)sulfonylpyrrolidine
CID 63400843
4-benzyl-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine
CID 1254760
3-[1-(3-fluorophenyl)sulfonylpiperidin-4-yl]-1-[(3-methoxyphenyl)methyl]-2-methylindole
CID 20932807
(3aR,10bS)-5-(3-fluorophenyl)sulfonyl-2-[(4-methoxyphenyl)methyl]-1,3,3a,4,6,10b-hexahydropyrrolo[3,4-d][2]benzazepine
CID 66821278
1-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(4-methoxyphenyl)ethyl]piperidine
CID 55476665

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine?
The IUPAC name of 1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine (CID 46086751) is 1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine is COc1ccc(CC2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1.
What is the InChIKey of 1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine?
The InChIKey is KOMZWCGDANZKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-24-18-7-5-15(6-8-18)13-16-9-11-21(12-10-16)25(22,23)19-4-2-3-17(20)14-19/h2-8,14,16H,9-13H2,1H3.
What are the key properties of 1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine?
1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine has a molecular weight of 363.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 46086751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).