4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine

C16H21F3N2O4S — CID 23723901

IUPAC4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C16H21F3N2O4S/c17-16(18,19)25-14-3-5-15(6-4-14)26(22,23)21-7-1-2-13(12-21)20-8-10-24-11-9-20/h3-6,13H,1-2,7-12H2
InChIKeyMOKOLTFOKWAOFE-UHFFFAOYSA-N
MW394.42 g/mol
LogP2.07
Rot. Bonds4

About 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine

4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine (PubChem CID 23723901) has the molecular formula C16H21F3N2O4S and a molecular weight of 394.42 g/mol. Its IUPAC name is 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine
PubChem CID23723901
Molecular FormulaC16H21F3N2O4S
Molecular Weight394.42 g/mol
Exact Mass394.12
IUPAC Name4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine
SMILESO=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C16H21F3N2O4S/c17-16(18,19)25-14-3-5-15(6-4-14)26(22,23)21-7-1-2-13(12-21)20-8-10-24-11-9-20/h3-6,13H,1-2,7-12H2
InChIKeyMOKOLTFOKWAOFE-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

Dasa-23
CID 25243725
4-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzene-1-sulfonamide
CID 715058
3-fluoro-4-methoxy-N-[3-(morpholin-4-yl)propyl]benzenesulfonamide
CID 6471347
4-[(4-Phenoxyphenyl)sulfonyl]morpholine
CID 796473
4-{4-[4-(Morpholine-4-sulfonyl)phenoxy]benzenesulfonyl}morpholine
CID 1077177
Tasin-1
CID 1329829
4-[2-(Morpholin-4-yl)ethoxy]benzene-1-sulfonamide
CID 18971452
1'-((4-(Difluoromethoxy)phenyl)sulfonyl)-4-methyl-1,4'-bipiperidine
CID 118308421
1-[1-[4-(Difluoromethoxy)phenyl]sulfonylpiperidin-4-yl]-3-methylpiperidine
CID 118314260
4-Methyl-1-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-4-yl]piperidine
CID 141659834
4-Methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]piperidine
CID 146666610
1-(4-Methoxyphenyl)sulfonyl-4-piperidin-1-ylpiperidine
CID 660285

Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine (CID 23723901) is 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine is O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine?
The InChIKey is MOKOLTFOKWAOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O4S/c17-16(18,19)25-14-3-5-15(6-4-14)26(22,23)21-7-1-2-13(12-21)20-8-10-24-11-9-20/h3-6,13H,1-2,7-12H2.
What are the key properties of 4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-yl]morpholine?
4-[1-[4-(trifluoromethoxy)phenyl]sulfonylpiperidin-3-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-3-yl]morpholine is sourced from PubChem (CID 23723901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).