4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine

C17H25FN2O3S — CID 110284731

IUPAC4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C17H25FN2O3S/c1-14-12-16(18)2-3-17(14)24(21,22)20-6-4-15(5-7-20)13-19-8-10-23-11-9-19/h2-3,12,15H,4-11,13H2,1H3
InChIKeyHVSSJRIGOHHPRU-UHFFFAOYSA-N
MW356.46 g/mol
LogP1.87
Rot. Bonds4

About 4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine

4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine (PubChem CID 110284731) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
PubChem CID110284731
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C17H25FN2O3S/c1-14-12-16(18)2-3-17(14)24(21,22)20-6-4-15(5-7-20)13-19-8-10-23-11-9-19/h2-3,12,15H,4-11,13H2,1H3
InChIKeyHVSSJRIGOHHPRU-UHFFFAOYSA-N
XLogP1.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-[(4-fluoro-2-methylphenyl)methylsulfonyl]piperidin-4-yl]methyl]morpholine
CID 86819910
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonyl-3-methylaniline
CID 61116607
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280
4-[1-(5-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 46390373
3-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 114801916
4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 60540053
3-[4-(4-fluoro-2-methylphenyl)sulfonylpiperazin-1-yl]-6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazine
CID 122337141
4-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]morpholine
CID 110284722
3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 121197715
1-(4-fluoro-2-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
CID 113072902
1-(4-fluoro-2-methylphenyl)sulfonyl-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120779305

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine?
The IUPAC name of 4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine (CID 110284731) is 4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine is Cc1cc(F)ccc1S(=O)(=O)N1CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine?
The InChIKey is HVSSJRIGOHHPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-14-12-16(18)2-3-17(14)24(21,22)20-6-4-15(5-7-20)13-19-8-10-23-11-9-19/h2-3,12,15H,4-11,13H2,1H3.
What are the key properties of 4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine?
4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine has a molecular weight of 356.46 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-4-yl]methyl]morpholine is sourced from PubChem (CID 110284731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).