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

C16H21F3N2O3S — CID 45188754

IUPAC4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C16H21F3N2O3S/c17-16(18,19)13-3-1-5-15(11-13)25(22,23)21-6-2-4-14(12-21)20-7-9-24-10-8-20/h1,3,5,11,14H,2,4,6-10,12H2
InChIKeyWKGZIWZVLZWPSQ-UHFFFAOYSA-N
MW378.42 g/mol
LogP2.19
Rot. Bonds3

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

4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholine (PubChem CID 45188754) has the molecular formula C16H21F3N2O3S and a molecular weight of 378.42 g/mol. Its IUPAC name is 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholine
PubChem CID45188754
Molecular FormulaC16H21F3N2O3S
Molecular Weight378.42 g/mol
Exact Mass378.12
IUPAC Name4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholine
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCC(N2CCOCC2)C1
InChIInChI=1S/C16H21F3N2O3S/c17-16(18,19)13-3-1-5-15(11-13)25(22,23)21-6-2-4-14(12-21)20-7-9-24-10-8-20/h1,3,5,11,14H,2,4,6-10,12H2
InChIKeyWKGZIWZVLZWPSQ-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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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholine?
The IUPAC name of 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholine (CID 45188754) is 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholine is O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCCC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholine?
The InChIKey is WKGZIWZVLZWPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O3S/c17-16(18,19)13-3-1-5-15(11-13)25(22,23)21-6-2-4-14(12-21)20-7-9-24-10-8-20/h1,3,5,11,14H,2,4,6-10,12H2.
What are the key properties of 4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]morpholine?
4-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-3-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-3-yl]morpholine is sourced from PubChem (CID 45188754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).