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

C18H27FN2O2S — CID 46287367

IUPAC1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(CC2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1
InChIInChI=1S/C18H27FN2O2S/c1-15-6-10-20(11-7-15)14-16-8-12-21(13-9-16)24(22,23)18-5-3-2-4-17(18)19/h2-5,15-16H,6-14H2,1H3
InChIKeyAXQUBUNCSJLDLM-UHFFFAOYSA-N
MW354.49 g/mol
LogP2.96
Rot. Bonds4

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

1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine (PubChem CID 46287367) has the molecular formula C18H27FN2O2S and a molecular weight of 354.49 g/mol. Its IUPAC name is 1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
PubChem CID46287367
Molecular FormulaC18H27FN2O2S
Molecular Weight354.49 g/mol
Exact Mass354.18
IUPAC Name1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine
SMILESCC1CCN(CC2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1
InChIInChI=1S/C18H27FN2O2S/c1-15-6-10-20(11-7-15)14-16-8-12-21(13-9-16)24(22,23)18-5-3-2-4-17(18)19/h2-5,15-16H,6-14H2,1H3
InChIKeyAXQUBUNCSJLDLM-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine (CID 46287367) is 1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine is CC1CCN(CC2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1.
What is the InChIKey of 1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
The InChIKey is AXQUBUNCSJLDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2O2S/c1-15-6-10-20(11-7-15)14-16-8-12-21(13-9-16)24(22,23)18-5-3-2-4-17(18)19/h2-5,15-16H,6-14H2,1H3.
What are the key properties of 1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine?
1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine has a molecular weight of 354.49 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]methyl]-4-methylpiperidine is sourced from PubChem (CID 46287367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).