4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine

C17H24F2N2O3S — CID 91916400

IUPAC4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine
SMILESCN1CCC(OC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C17H24F2N2O3S/c1-20-8-4-14(5-9-20)24-15-6-10-21(11-7-15)25(22,23)17-3-2-13(18)12-16(17)19/h2-3,12,14-15H,4-11H2,1H3
InChIKeyWCVMFQQYTBQDEW-UHFFFAOYSA-N
MW374.45 g/mol
LogP2.23
Rot. Bonds4

About 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine

4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine (PubChem CID 91916400) has the molecular formula C17H24F2N2O3S and a molecular weight of 374.45 g/mol. Its IUPAC name is 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine.

Molecular Properties

Compound Name4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine
PubChem CID91916400
Molecular FormulaC17H24F2N2O3S
Molecular Weight374.45 g/mol
Exact Mass374.15
IUPAC Name4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine
SMILESCN1CCC(OC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1
InChIInChI=1S/C17H24F2N2O3S/c1-20-8-4-14(5-9-20)24-15-6-10-21(11-7-15)25(22,23)17-3-2-13(18)12-16(17)19/h2-3,12,14-15H,4-11H2,1H3
InChIKeyWCVMFQQYTBQDEW-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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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine?
The IUPAC name of 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine (CID 91916400) is 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine.
What is the SMILES notation for 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine?
The canonical SMILES for 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine is CN1CCC(OC2CCN(S(=O)(=O)c3ccc(F)cc3F)CC2)CC1.
What is the InChIKey of 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine?
The InChIKey is WCVMFQQYTBQDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2O3S/c1-20-8-4-14(5-9-20)24-15-6-10-21(11-7-15)25(22,23)17-3-2-13(18)12-16(17)19/h2-3,12,14-15H,4-11H2,1H3.
What are the key properties of 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine?
4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine 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 4-[1-(2,4-difluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine is sourced from PubChem (CID 91916400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).