1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine

C13H20F6N2O2S — CID 89375376

IUPAC1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine
SMILESO=S(=O)(N1CCC(N2CCCCC2)CC1)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H20F6N2O2S/c14-11(15)12(16,17)13(18,19)24(22,23)21-8-4-10(5-9-21)20-6-2-1-3-7-20/h10-11H,1-9H2
InChIKeyRXGGFUBBYREXFE-UHFFFAOYSA-N
MW382.37 g/mol
LogP2.76
Rot. Bonds5

About 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine

1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine (PubChem CID 89375376) has the molecular formula C13H20F6N2O2S and a molecular weight of 382.37 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine
PubChem CID89375376
Molecular FormulaC13H20F6N2O2S
Molecular Weight382.37 g/mol
Exact Mass382.11
IUPAC Name1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine
SMILESO=S(=O)(N1CCC(N2CCCCC2)CC1)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C13H20F6N2O2S/c14-11(15)12(16,17)13(18,19)24(22,23)21-8-4-10(5-9-21)20-6-2-1-3-7-20/h10-11H,1-9H2
InChIKeyRXGGFUBBYREXFE-UHFFFAOYSA-N
XLogP2.76
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]-1,4-thiazinane 1,1-dioxide
CID 75523909
1,1,2,2,3,3-Hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpropane-1-sulfonate
CID 59594104
1,1,2,2,3,3-Hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpropane-1-sulfonic acid
CID 59594105
1,1,2,2,3,3-hexafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide
CID 87075176
4-[Di(propan-2-yl)amino]-1-[1,1,2,2,3,3-hexafluoro-3-[methyl(sulfinato)sulfamoyl]propyl]sulfonylpiperidine
CID 89234034
[1-[1,1,2,2,3,3-Hexafluoro-3-(trioxidanylsulfanyl)propyl]sulfonylpiperidin-4-yl]-trimethylazanium
CID 89349425
1-[1,1,2,2,3,3-Hexafluoro-3-(trioxidanylsulfanyl)propyl]sulfonyl-4-piperidin-1-ylpiperidine
CID 89349426
1-(1,1,2,2,3,3-Hexafluorobutylsulfonyl)-4-piperidin-1-ylpiperidine
CID 89762777
1,1,2,2,3-Pentafluoro-3-(4-piperidin-1-ylpiperidin-1-yl)sulfonylpropane-1-sulfonic acid
CID 117617571
[1-(1,1,2,2,3,3-Hexafluoro-3-sulfopropyl)sulfonylpiperidin-4-yl]-trimethylazanium
CID 117959592
3-[4-(Dimethylamino)piperidin-1-yl]sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 118641869
1,1,2,2,3,3-Hexafluoro-3-[4-(trimethylazaniumyl)piperidin-1-yl]sulfonylpropane-1-sulfonate
CID 132092108

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine (CID 89375376) is 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine is O=S(=O)(N1CCC(N2CCCCC2)CC1)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine?
The InChIKey is RXGGFUBBYREXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F6N2O2S/c14-11(15)12(16,17)13(18,19)24(22,23)21-8-4-10(5-9-21)20-6-2-1-3-7-20/h10-11H,1-9H2.
What are the key properties of 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine?
1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine has a molecular weight of 382.37 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3-hexafluoropropylsulfonyl)-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 89375376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).