3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine

C19H22FNO3S — CID 110638702

IUPAC3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(COc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H22FNO3S/c1-15-4-10-19(11-5-15)25(22,23)21-12-2-3-16(13-21)14-24-18-8-6-17(20)7-9-18/h4-11,16H,2-3,12-14H2,1H3
InChIKeyPONWMGDNVPQAMC-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.61
Rot. Bonds5

About 3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine

3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine (PubChem CID 110638702) has the molecular formula C19H22FNO3S and a molecular weight of 363.45 g/mol. Its IUPAC name is 3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine.

Molecular Properties

Compound Name3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
PubChem CID110638702
Molecular FormulaC19H22FNO3S
Molecular Weight363.45 g/mol
Exact Mass363.13
IUPAC Name3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine
SMILESCc1ccc(S(=O)(=O)N2CCCC(COc3ccc(F)cc3)C2)cc1
InChIInChI=1S/C19H22FNO3S/c1-15-4-10-19(11-5-15)25(22,23)21-12-2-3-16(13-21)14-24-18-8-6-17(20)7-9-18/h4-11,16H,2-3,12-14H2,1H3
InChIKeyPONWMGDNVPQAMC-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylphenoxy)methyl]-1-thiophen-2-ylsulfonylpiperidine
CID 110638586
6-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]sulfonylchromen-2-one
CID 46972159
3-(methoxymethyl)-1-(4-methoxyphenyl)sulfonylpiperidine
CID 121092316
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720
[1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 3318640
1-(benzenesulfonyl)-3-[(3-methylphenoxy)methyl]piperidine
CID 110410609
2-[[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]methoxy]acetic acid
CID 166266451
3-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)sulfonylpyrrolidine
CID 134960206
3-[(4-fluorophenyl)methoxy]-1-(4-methylphenyl)sulfonylpiperidine
CID 46029113
(3R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 100666011
2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]ethanol
CID 55064427
1-(4-methoxy-3-methylphenyl)sulfonyl-3-(phenoxymethyl)piperidine
CID 110410419

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine?
The IUPAC name of 3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine (CID 110638702) is 3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine.
What is the SMILES notation for 3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine?
The canonical SMILES for 3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine is Cc1ccc(S(=O)(=O)N2CCCC(COc3ccc(F)cc3)C2)cc1.
What is the InChIKey of 3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine?
The InChIKey is PONWMGDNVPQAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3S/c1-15-4-10-19(11-5-15)25(22,23)21-12-2-3-16(13-21)14-24-18-8-6-17(20)7-9-18/h4-11,16H,2-3,12-14H2,1H3.
What are the key properties of 3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine?
3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine has a molecular weight of 363.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenoxy)methyl]-1-(4-methylphenyl)sulfonylpiperidine is sourced from PubChem (CID 110638702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).