1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine

C13H18FNO3S — CID 63978614

IUPAC1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H18FNO3S/c1-18-10-11-6-8-15(9-7-11)19(16,17)13-4-2-12(14)3-5-13/h2-5,11H,6-10H2,1H3
InChIKeyJGKOWWIHJQJTAK-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.87
Rot. Bonds4

About 1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine

1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine (PubChem CID 63978614) has the molecular formula C13H18FNO3S and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine
PubChem CID63978614
Molecular FormulaC13H18FNO3S
Molecular Weight287.36 g/mol
Exact Mass287.10
IUPAC Name1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine
SMILESCOCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C13H18FNO3S/c1-18-10-11-6-8-15(9-7-11)19(16,17)13-4-2-12(14)3-5-13/h2-5,11H,6-10H2,1H3
InChIKeyJGKOWWIHJQJTAK-UHFFFAOYSA-N
XLogP1.87
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
4-[4-(methoxymethyl)piperidin-1-yl]sulfonyl-N-methylaniline
CID 63979413
1-[(4-fluorophenyl)methylsulfonyl]-4-(methoxymethyl)piperidine
CID 71782918
4-[3-(methoxymethyl)pyrrolidin-1-yl]sulfonylaniline
CID 64570002
1-(4-fluorophenyl)sulfonyl-3-methoxypyrrolidine
CID 108781060
4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine
CID 110411604
1-(4-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 62067673
1-(4-fluorophenyl)sulfonyl-4-piperidin-1-ium-4-ylpiperidine
CID 7175888
1-(4-fluorophenyl)sulfonyl-3-methylpyrrolidine
CID 61224457
8-(4-fluorophenyl)sulfonyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 131654793
(6R)-8-(4-fluorophenyl)sulfonyl-6-(methoxymethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine
CID 97462215

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine (CID 63978614) is 1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine is COCC1CCN(S(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine?
The InChIKey is JGKOWWIHJQJTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3S/c1-18-10-11-6-8-15(9-7-11)19(16,17)13-4-2-12(14)3-5-13/h2-5,11H,6-10H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine?
1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine has a molecular weight of 287.36 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine is sourced from PubChem (CID 63978614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).