1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine

C16H24FN3O2S — CID 754215

IUPAC1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C16H24FN3O2S/c1-18-10-12-19(13-11-18)15-6-8-20(9-7-15)23(21,22)16-4-2-14(17)3-5-16/h2-5,15H,6-13H2,1H3
InChIKeyMAMJCNSCIAPPRH-UHFFFAOYSA-N
MW341.45 g/mol
LogP1.23
Rot. Bonds3

About 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine

1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine (PubChem CID 754215) has the molecular formula C16H24FN3O2S and a molecular weight of 341.45 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine
PubChem CID754215
Molecular FormulaC16H24FN3O2S
Molecular Weight341.45 g/mol
Exact Mass341.16
IUPAC Name1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine
SMILESCN1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1
InChIInChI=1S/C16H24FN3O2S/c1-18-10-12-19(13-11-18)15-6-8-20(9-7-15)23(21,22)16-4-2-14(17)3-5-16/h2-5,15H,6-13H2,1H3
InChIKeyMAMJCNSCIAPPRH-UHFFFAOYSA-N
XLogP1.23
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine (CID 754215) is 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine is CN1CCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)CC1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
The InChIKey is MAMJCNSCIAPPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O2S/c1-18-10-12-19(13-11-18)15-6-8-20(9-7-15)23(21,22)16-4-2-14(17)3-5-16/h2-5,15H,6-13H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine?
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine has a molecular weight of 341.45 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 754215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).