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

C16H21F3N2O3S — CID 20975180

IUPAC4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H21F3N2O3S/c17-16(18,19)13-2-1-3-15(12-13)25(22,23)21-6-4-14(5-7-21)20-8-10-24-11-9-20/h1-3,12,14H,4-11H2
InChIKeyQBYKKZGZWREQSD-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.19
Rot. Bonds3

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

4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine (PubChem CID 20975180) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine
PubChem CID20975180
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC Name4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C16H21F3N2O3S/c17-16(18,19)13-2-1-3-15(12-13)25(22,23)21-6-4-14(5-7-21)20-8-10-24-11-9-20/h1-3,12,14H,4-11H2
InChIKeyQBYKKZGZWREQSD-UHFFFAOYSA-N
XLogP2.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.42
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-Dimethyl-4-{[3-(trifluoromethyl)phenyl]sulfonyl}morpholine
CID 2818577
4-(1-Benzylsulfonylpiperidin-4-yl)-2,6-dimethylmorpholine
CID 660759
4-Methyl-1'-(4-trifluoromethyl-benzenesulfonyl)-[1,4']bipiperidinyl
CID 1433359
4-Methyl-1-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]piperidine
CID 141659835
4-[1-(Benzenesulfonyl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 660754
N-methyl-N-(3-methylbutyl)-1-{[3-(trifluoromethyl)phenyl]sulfonyl}piperidin-4-amine
CID 6602880
N-[(2R)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-hydroxypropyl]-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 44526974
4-[1-(2,4,6-Trimethylphenyl)sulfonylpiperidin-4-yl]morpholine
CID 20975181
N-(3-morpholin-4-ylpropyl)-1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 25102338
CID 134789191
CID 134789191
4-fluoro-3-methyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3243079
1-[3-(Trifluoromethyl)benzenesulfonyl]-1,4-bipiperidine
CID 23605216

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine (CID 20975180) is 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine?
The InChIKey is QBYKKZGZWREQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3S/c17-16(18,19)13-2-1-3-15(12-13)25(22,23)21-6-4-14(5-7-21)20-8-10-24-11-9-20/h1-3,12,14H,4-11H2.
What are the key properties of 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine?
4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine has a molecular weight of 378.42 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]morpholine is sourced from PubChem (CID 20975180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).