4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine

C16H21F3N2O4S — CID 118314272

IUPAC4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H21F3N2O4S/c17-16(18,19)25-14-1-3-15(4-2-14)26(22,23)21-7-5-13(6-8-21)20-9-11-24-12-10-20/h1-4,13H,5-12H2
InChIKeyQTTBKJXFTUCSMY-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.07
Rot. Bonds4

About 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine

4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine (PubChem CID 118314272) has the molecular formula C16H21F3N2O4S and a molecular weight of 394.42 g/mol. Its IUPAC name is 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
PubChem CID118314272
Molecular FormulaC16H21F3N2O4S
Molecular Weight394.42 g/mol
Exact Mass394.12
IUPAC Name4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H21F3N2O4S/c17-16(18,19)25-14-1-3-15(4-2-14)26(22,23)21-7-5-13(6-8-21)20-9-11-24-12-10-20/h1-4,13H,5-12H2
InChIKeyQTTBKJXFTUCSMY-UHFFFAOYSA-N
XLogP2.07
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.42
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(3,4-dichlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 68554209
1-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-4-ium
CID 2079401
[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
CID 62373102
(3R)-3-methyl-4-[4-(trifluoromethoxy)phenyl]sulfonylmorpholine
CID 51939603
3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]prop-2-enoic acid
CID 66681921
4-[(3R)-1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]pyrrolidin-3-yl]morpholine
CID 129398340
N-morpholin-4-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 4998109
(4S)-4-benzyl-3-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,3-oxazolidin-2-one
CID 74227910
4-[6-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-yl]pyridazin-4-yl]morpholine
CID 91968934
3-phenyl-5-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-1,2,4-oxadiazole
CID 24731349
(3S,4R)-4-hydroxy-1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 135089574
2,2-difluoro-6-[4-(trifluoromethoxy)phenyl]sulfonyl-6-azaspiro[2.5]octane
CID 131703378

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine (CID 118314272) is 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine?
The InChIKey is QTTBKJXFTUCSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O4S/c17-16(18,19)25-14-1-3-15(4-2-14)26(22,23)21-7-5-13(6-8-21)20-9-11-24-12-10-20/h1-4,13H,5-12H2.
What are the key properties of 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine?
4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine has a molecular weight of 394.42 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]morpholine is sourced from PubChem (CID 118314272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).