1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine

C17H25FN2O2S — CID 2911262

IUPAC1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine
SMILESCC1CCCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H25FN2O2S/c1-14-3-2-10-19(13-14)16-8-11-20(12-9-16)23(21,22)17-6-4-15(18)5-7-17/h4-7,14,16H,2-3,8-13H2,1H3
InChIKeyNCKBIZMIBDFKBV-UHFFFAOYSA-N
MW340.46 g/mol
LogP2.71
Rot. Bonds3

About 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine

1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine (PubChem CID 2911262) has the molecular formula C17H25FN2O2S and a molecular weight of 340.46 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine
PubChem CID2911262
Molecular FormulaC17H25FN2O2S
Molecular Weight340.46 g/mol
Exact Mass340.16
IUPAC Name1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine
SMILESCC1CCCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C17H25FN2O2S/c1-14-3-2-10-19(13-14)16-8-11-20(12-9-16)23(21,22)17-6-4-15(18)5-7-17/h4-7,14,16H,2-3,8-13H2,1H3
InChIKeyNCKBIZMIBDFKBV-UHFFFAOYSA-N
XLogP2.71
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine?
The IUPAC name of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine (CID 2911262) is 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine.
What is the SMILES notation for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine?
The canonical SMILES for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine is CC1CCCN(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)C1.
What is the InChIKey of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine?
The InChIKey is NCKBIZMIBDFKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2S/c1-14-3-2-10-19(13-14)16-8-11-20(12-9-16)23(21,22)17-6-4-15(18)5-7-17/h4-7,14,16H,2-3,8-13H2,1H3.
What are the key properties of 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine?
1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine has a molecular weight of 340.46 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-3-methylpiperidine is sourced from PubChem (CID 2911262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).