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

C17H25FN2O3S — CID 91916399

IUPAC4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine
SMILESCN1CCC(OC2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1
InChIInChI=1S/C17H25FN2O3S/c1-19-10-6-14(7-11-19)23-15-8-12-20(13-9-15)24(21,22)17-5-3-2-4-16(17)18/h2-5,14-15H,6-13H2,1H3
InChIKeyNOUDSZWXKHAOLK-UHFFFAOYSA-N
MW356.46 g/mol
LogP2.09
Rot. Bonds4

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

4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine (PubChem CID 91916399) has the molecular formula C17H25FN2O3S and a molecular weight of 356.46 g/mol. Its IUPAC name is 4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine.

Molecular Properties

Compound Name4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine
PubChem CID91916399
Molecular FormulaC17H25FN2O3S
Molecular Weight356.46 g/mol
Exact Mass356.16
IUPAC Name4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine
SMILESCN1CCC(OC2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1
InChIInChI=1S/C17H25FN2O3S/c1-19-10-6-14(7-11-19)23-15-8-12-20(13-9-15)24(21,22)17-5-3-2-4-16(17)18/h2-5,14-15H,6-13H2,1H3
InChIKeyNOUDSZWXKHAOLK-UHFFFAOYSA-N
XLogP2.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine?
The IUPAC name of 4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine (CID 91916399) is 4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine.
What is the SMILES notation for 4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine?
The canonical SMILES for 4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine is CN1CCC(OC2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1.
What is the InChIKey of 4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine?
The InChIKey is NOUDSZWXKHAOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O3S/c1-19-10-6-14(7-11-19)23-15-8-12-20(13-9-15)24(21,22)17-5-3-2-4-16(17)18/h2-5,14-15H,6-13H2,1H3.
What are the key properties of 4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine?
4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine has a molecular weight of 356.46 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]oxy-1-methylpiperidine is sourced from PubChem (CID 91916399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).