piperidine;trifluoromethanesulfonic acid

C6H12F3NO3S — CID 12065827

IUPACpiperidine;trifluoromethanesulfonic acid
SMILESC1CCNCC1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C5H11N.CHF3O3S/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7/h6H,1-5H2;(H,5,6,7)
InChIKeyMWMPUJOUFNMALZ-UHFFFAOYSA-N
MW235.23 g/mol
LogP1.15
Rot. Bonds

About piperidine;trifluoromethanesulfonic acid

piperidine;trifluoromethanesulfonic acid (PubChem CID 12065827) has the molecular formula C6H12F3NO3S and a molecular weight of 235.23 g/mol. Its IUPAC name is piperidine;trifluoromethanesulfonic acid.

Molecular Properties

Compound Namepiperidine;trifluoromethanesulfonic acid
PubChem CID12065827
Molecular FormulaC6H12F3NO3S
Molecular Weight235.23 g/mol
Exact Mass235.05
IUPAC Namepiperidine;trifluoromethanesulfonic acid
SMILESC1CCNCC1.O=S(=O)(O)C(F)(F)F
InChIInChI=1S/C5H11N.CHF3O3S/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7/h6H,1-5H2;(H,5,6,7)
InChIKeyMWMPUJOUFNMALZ-UHFFFAOYSA-N
XLogP1.15
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidine;trifluoromethanesulfonic acid?
The IUPAC name of piperidine;trifluoromethanesulfonic acid (CID 12065827) is piperidine;trifluoromethanesulfonic acid.
What is the SMILES notation for piperidine;trifluoromethanesulfonic acid?
The canonical SMILES for piperidine;trifluoromethanesulfonic acid is C1CCNCC1.O=S(=O)(O)C(F)(F)F.
What is the InChIKey of piperidine;trifluoromethanesulfonic acid?
The InChIKey is MWMPUJOUFNMALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.CHF3O3S/c1-2-4-6-5-3-1;2-1(3,4)8(5,6)7/h6H,1-5H2;(H,5,6,7).
What are the key properties of piperidine;trifluoromethanesulfonic acid?
piperidine;trifluoromethanesulfonic acid has a molecular weight of 235.23 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;trifluoromethanesulfonic acid is sourced from PubChem (CID 12065827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).