3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine

C10H18F3NO2S — CID 67670672

IUPAC3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine
SMILESCCC1CC(CC)CN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-3-8-5-9(4-2)7-14(6-8)17(15,16)10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyJUAPQWCPHXZVPC-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.59
Rot. Bonds3

About 3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine

3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine (PubChem CID 67670672) has the molecular formula C10H18F3NO2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine.

Molecular Properties

Compound Name3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine
PubChem CID67670672
Molecular FormulaC10H18F3NO2S
Molecular Weight273.32 g/mol
Exact Mass273.10
IUPAC Name3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine
SMILESCCC1CC(CC)CN(S(=O)(=O)C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO2S/c1-3-8-5-9(4-2)7-14(6-8)17(15,16)10(11,12)13/h8-9H,3-7H2,1-2H3
InChIKeyJUAPQWCPHXZVPC-UHFFFAOYSA-N
XLogP2.59
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine?
The IUPAC name of 3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine (CID 67670672) is 3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine.
What is the SMILES notation for 3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine?
The canonical SMILES for 3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine is CCC1CC(CC)CN(S(=O)(=O)C(F)(F)F)C1.
What is the InChIKey of 3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine?
The InChIKey is JUAPQWCPHXZVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2S/c1-3-8-5-9(4-2)7-14(6-8)17(15,16)10(11,12)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine?
3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine has a molecular weight of 273.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(trifluoromethylsulfonyl)piperidine is sourced from PubChem (CID 67670672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).