[(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate

C7H12F3NO3S — CID 98057079

IUPAC[(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate
SMILESO=S(=O)(OC[C@@H]1CCCNC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)15(12,13)14-5-6-2-1-3-11-4-6/h6,11H,1-5H2/t6-/m1/s1
InChIKeyGCQFYZSWXRTZPR-ZCFIWIBFSA-N
MW247.24 g/mol
LogP0.85
Rot. Bonds3

About [(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate

[(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate (PubChem CID 98057079) has the molecular formula C7H12F3NO3S and a molecular weight of 247.24 g/mol. Its IUPAC name is [(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate.

Molecular Properties

Compound Name[(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate
PubChem CID98057079
Molecular FormulaC7H12F3NO3S
Molecular Weight247.24 g/mol
Exact Mass247.05
IUPAC Name[(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate
SMILESO=S(=O)(OC[C@@H]1CCCNC1)C(F)(F)F
InChIInChI=1S/C7H12F3NO3S/c8-7(9,10)15(12,13)14-5-6-2-1-3-11-4-6/h6,11H,1-5H2/t6-/m1/s1
InChIKeyGCQFYZSWXRTZPR-ZCFIWIBFSA-N
XLogP0.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

2,2,2-trifluoroethyl 2-piperidin-3-ylacetate
CID 102548856
3-(cyclopentyloxymethyl)piperidine
CID 24693389
[(3S)-piperidin-3-yl]methyl acetate
CID 11194466
2-(piperidin-3-ylmethoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 55061103
3-[(dihydroxyamino)oxymethyl]piperidine
CID 67976448
[(3S)-pyrrolidin-3-yl] trifluoromethanesulfonate
CID 56973569
piperidin-3-ylmethyl cyclopropanecarboxylate
CID 56829549
2-piperidin-3-ylethanesulfonyl fluoride
CID 146049276
3-[2-(trifluoromethylsulfanyl)ethoxymethyl]piperidine
CID 116616556
piperidin-3-ylmethyl benzoate
CID 53409803
(3R)-3-(ethoxymethyl)piperidine
CID 42427178
(3S)-3-(ethoxymethyl)piperidine
CID 42427180

Frequently Asked Questions

What is the IUPAC name of [(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate?
The IUPAC name of [(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate (CID 98057079) is [(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate.
What is the SMILES notation for [(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate?
The canonical SMILES for [(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate is O=S(=O)(OC[C@@H]1CCCNC1)C(F)(F)F.
What is the InChIKey of [(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate?
The InChIKey is GCQFYZSWXRTZPR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12F3NO3S/c8-7(9,10)15(12,13)14-5-6-2-1-3-11-4-6/h6,11H,1-5H2/t6-/m1/s1.
What are the key properties of [(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate?
[(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate has a molecular weight of 247.24 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-piperidin-3-yl]methyl trifluoromethanesulfonate is sourced from PubChem (CID 98057079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).