1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine

C17H24F2N2O3S — CID 90616613

IUPAC1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
SMILESCOC1CCN(C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1
InChIInChI=1S/C17H24F2N2O3S/c1-24-14-7-9-20(10-8-14)13-5-11-21(12-6-13)25(22,23)17-15(18)3-2-4-16(17)19/h2-4,13-14H,5-12H2,1H3
InChIKeyFEOAZEUPSUNDKW-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.23
Rot. Bonds4

About 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine

1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine (PubChem CID 90616613) has the molecular formula C17H24F2N2O3S and a molecular weight of 374.45 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
PubChem CID90616613
Molecular FormulaC17H24F2N2O3S
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC Name1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
SMILESCOC1CCN(C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1
InChIInChI=1S/C17H24F2N2O3S/c1-24-14-7-9-20(10-8-14)13-5-11-21(12-6-13)25(22,23)17-15(18)3-2-4-16(17)19/h2-4,13-14H,5-12H2,1H3
InChIKeyFEOAZEUPSUNDKW-UHFFFAOYSA-N
XLogP2.23
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.45
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415192
1-(3-methoxyphenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine
CID 90616602
1-(2,6-difluorophenyl)sulfonyl-N-methylpiperidin-4-amine
CID 119979763
4-(4-methoxypiperidin-1-yl)-1-[4-(3-methylphenoxy)phenyl]sulfonylpiperidine
CID 90616697
1-(azetidin-3-yl)-4-(2,6-difluorophenyl)sulfonylpiperazine
CID 66203131
4-[4-(2-fluorophenoxy)piperidin-1-yl]-1-thiophen-2-ylsulfonylpiperidine
CID 86264461
(3S)-1-(2,6-difluorophenyl)sulfonyl-3-(2-methoxyphenyl)pyrrolidine
CID 96507301
1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974584
(3S)-3-[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]thiolane 1,1-dioxide
CID 8818275
1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 51892276
1-(2-ethoxyphenyl)sulfonyl-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine
CID 90617008
1-(5-chloro-2-methoxyphenyl)sulfonyl-4-(3-methoxypyrrolidin-1-yl)piperidine
CID 134161125

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine?
The IUPAC name of 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine (CID 90616613) is 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine.
What is the SMILES notation for 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine?
The canonical SMILES for 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine is COC1CCN(C2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine?
The InChIKey is FEOAZEUPSUNDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3S/c1-24-14-7-9-20(10-8-14)13-5-11-21(12-6-13)25(22,23)17-15(18)3-2-4-16(17)19/h2-4,13-14H,5-12H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine?
1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine has a molecular weight of 374.45 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)sulfonyl-4-(4-methoxypiperidin-1-yl)piperidine is sourced from PubChem (CID 90616613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).