4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine

C19H22FNO4S — CID 110411604

IUPAC4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(COc3ccccc3F)CC2)cc1
InChIInChI=1S/C19H22FNO4S/c1-24-16-6-8-17(9-7-16)26(22,23)21-12-10-15(11-13-21)14-25-19-5-3-2-4-18(19)20/h2-9,15H,10-14H2,1H3
InChIKeyWGHHWCBCWMZHFT-UHFFFAOYSA-N
MW379.45 g/mol
LogP3.31
Rot. Bonds6

About 4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine

4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine (PubChem CID 110411604) has the molecular formula C19H22FNO4S and a molecular weight of 379.45 g/mol. Its IUPAC name is 4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine
PubChem CID110411604
Molecular FormulaC19H22FNO4S
Molecular Weight379.45 g/mol
Exact Mass379.13
IUPAC Name4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine
SMILESCOc1ccc(S(=O)(=O)N2CCC(COc3ccccc3F)CC2)cc1
InChIInChI=1S/C19H22FNO4S/c1-24-16-6-8-17(9-7-16)26(22,23)21-12-10-15(11-13-21)14-25-19-5-3-2-4-18(19)20/h2-9,15H,10-14H2,1H3
InChIKeyWGHHWCBCWMZHFT-UHFFFAOYSA-N
XLogP3.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)sulfonyl-4-(methoxymethyl)piperidine
CID 63978614
4-[(2-fluorophenoxy)methyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine
CID 110411627
1-(2-fluorophenyl)-4-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]piperazine
CID 1334438
1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
CID 110638637
O-[[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]hydroxylamine
CID 39390371
1-(benzenesulfonyl)-4-(methoxymethyl)piperidine
CID 63999066
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
2-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]-N,N-dimethylethanamine
CID 75416418
2-(2-fluorophenoxy)ethyl 4-(4-methylpiperidin-1-yl)sulfonylbenzoate
CID 7830613
1-(4-fluorophenyl)sulfonyl-3-(4-methoxyphenyl)pyrrolidine
CID 121084236
4-(2-chlorophenyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 171678470
1-[4-(4-methoxyphenyl)phenyl]sulfonyl-4-methylpiperidine
CID 66486087

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine?
The IUPAC name of 4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine (CID 110411604) is 4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine.
What is the SMILES notation for 4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine?
The canonical SMILES for 4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine is COc1ccc(S(=O)(=O)N2CCC(COc3ccccc3F)CC2)cc1.
What is the InChIKey of 4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine?
The InChIKey is WGHHWCBCWMZHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO4S/c1-24-16-6-8-17(9-7-16)26(22,23)21-12-10-15(11-13-21)14-25-19-5-3-2-4-18(19)20/h2-9,15H,10-14H2,1H3.
What are the key properties of 4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine?
4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine has a molecular weight of 379.45 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenoxy)methyl]-1-(4-methoxyphenyl)sulfonylpiperidine is sourced from PubChem (CID 110411604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).