1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine

C18H25F3N2O3S — CID 91916407

IUPAC1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine
SMILESCN1CCC(OC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H25F3N2O3S/c1-22-10-6-14(7-11-22)26-15-8-12-23(13-9-15)27(24,25)17-5-3-2-4-16(17)18(19,20)21/h2-5,14-15H,6-13H2,1H3
InChIKeyNTMGJEXNPKPILU-UHFFFAOYSA-N
MW406.47 g/mol
LogP2.97
Rot. Bonds4

About 1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine

1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine (PubChem CID 91916407) has the molecular formula C18H25F3N2O3S and a molecular weight of 406.47 g/mol. Its IUPAC name is 1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine.

Molecular Properties

Compound Name1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine
PubChem CID91916407
Molecular FormulaC18H25F3N2O3S
Molecular Weight406.47 g/mol
Exact Mass406.15
IUPAC Name1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine
SMILESCN1CCC(OC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1
InChIInChI=1S/C18H25F3N2O3S/c1-22-10-6-14(7-11-22)26-15-8-12-23(13-9-15)27(24,25)17-5-3-2-4-16(17)18(19,20)21/h2-5,14-15H,6-13H2,1H3
InChIKeyNTMGJEXNPKPILU-UHFFFAOYSA-N
XLogP2.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 52.97
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
3-(1-(Mesitylsulfonyl)piperidin-4-yl)-6-methyl-1,3-oxazinane
CID 118308349
4-[(1-Benzyl-4-piperidyl)oxy]-1-[(5-fluoro-2-methylphenyl)sulfonyl]piperidine
CID 91916450
4-[(1-Benzyl-4-piperidyl)oxy]-1-[(3-fluorophenyl)sulfonyl]piperidine
CID 91916452
4-(4-Methoxypiperidin-1-yl)sulfonyl-3-(trifluoromethyl)benzenesulfonamide
CID 53909051
Methyl 3-[({[(5-{[(4-fluorophenyl)amino]carbonyl}-1,3,4-thiadiazol-2-yl)methyl]amino}carbonyl)amino]benzoate
CID 20975180
4-[(Piperidin-1-YL)methyl]-1-[3-(trifluoromethyl)benzenesulfonyl]piperidine
CID 46287302
4-(Piperidinomethyl)-1-{[2-(trifluoromethyl)phenyl]sulfonyl}piperidine
CID 46287309
4-[(4-Methylpiperidin-1-YL)methyl]-1-[3-(trifluoromethyl)benzenesulfonyl]piperidine
CID 46287332
4-Methoxy-1-((4-(trifluoromethyl)phenyl)sulfonyl)piperidine
CID 49720663
4-(4-Methoxypiperidin-1-yl)sulfonyl-2-(trifluoromethyl)benzenesulfonamide
CID 90672797
1-[(4-Fluorophenyl)sulfonyl]-4-[(1-methyl-4-piperidyl)oxy]piperidine
CID 91916398

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine?
The IUPAC name of 1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine (CID 91916407) is 1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine.
What is the SMILES notation for 1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine?
The canonical SMILES for 1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine is CN1CCC(OC2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine?
The InChIKey is NTMGJEXNPKPILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O3S/c1-22-10-6-14(7-11-22)26-15-8-12-23(13-9-15)27(24,25)17-5-3-2-4-16(17)18(19,20)21/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine?
1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine has a molecular weight of 406.47 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]oxypiperidine is sourced from PubChem (CID 91916407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).