piperidin-1-yl trifluoromethanesulfonate

C6H10F3NO3S — CID 141485629

IUPACpiperidin-1-yl trifluoromethanesulfonate
SMILESO=S(=O)(ON1CCCCC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)14(11,12)13-10-4-2-1-3-5-10/h1-5H2
InChIKeyMRYARERPOSKCJO-UHFFFAOYSA-N
MW233.21 g/mol
LogP1.25
Rot. Bonds2

About piperidin-1-yl trifluoromethanesulfonate

piperidin-1-yl trifluoromethanesulfonate (PubChem CID 141485629) has the molecular formula C6H10F3NO3S and a molecular weight of 233.21 g/mol. Its IUPAC name is piperidin-1-yl trifluoromethanesulfonate.

Molecular Properties

Compound Namepiperidin-1-yl trifluoromethanesulfonate
PubChem CID141485629
Molecular FormulaC6H10F3NO3S
Molecular Weight233.21 g/mol
Exact Mass233.03
IUPAC Namepiperidin-1-yl trifluoromethanesulfonate
SMILESO=S(=O)(ON1CCCCC1)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c7-6(8,9)14(11,12)13-10-4-2-1-3-5-10/h1-5H2
InChIKeyMRYARERPOSKCJO-UHFFFAOYSA-N
XLogP1.25
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(Trifluoromethylsulfonyl)piperidine
CID 11085234
(1-Fluoropiperidin-1-ium-1-yl) trifluoromethanesulfonate
CID 56979856
[1-(Trifluoromethylsulfonyl)piperidin-1-ium-1-yl] trifluoromethanesulfonate
CID 90797662
1-(Difluoroiodomethylsulfonyl)piperidine
CID 129823529
(1-Methylpiperidin-1-ium-1-yl) trifluoromethanesulfonate
CID 13234692
Piperidin-1-ium 1-oxide;trifluoromethanesulfonate
CID 17779154
(1-Fluoropiperidin-1-ium-1-yl) methanesulfonate
CID 57107527
[1-(Trifluoromethylsulfonyloxy)piperidin-1-ium-1-yl] trifluoromethanesulfonate
CID 57181545
1-(Difluoromethylsulfonyl)piperidine
CID 58435991
Piperidin-1-yl 1,1,2,2,3,3-hexafluorobutane-1-sulfonate
CID 58463146
(1-Ethylpiperidin-1-ium-1-yl) trifluoromethanesulfonate
CID 87132279
4,4-Difluoro-1-(methylsulfonyl)piperidine
CID 89773726

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl trifluoromethanesulfonate?
The IUPAC name of piperidin-1-yl trifluoromethanesulfonate (CID 141485629) is piperidin-1-yl trifluoromethanesulfonate.
What is the SMILES notation for piperidin-1-yl trifluoromethanesulfonate?
The canonical SMILES for piperidin-1-yl trifluoromethanesulfonate is O=S(=O)(ON1CCCCC1)C(F)(F)F.
What is the InChIKey of piperidin-1-yl trifluoromethanesulfonate?
The InChIKey is MRYARERPOSKCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO3S/c7-6(8,9)14(11,12)13-10-4-2-1-3-5-10/h1-5H2.
What are the key properties of piperidin-1-yl trifluoromethanesulfonate?
piperidin-1-yl trifluoromethanesulfonate has a molecular weight of 233.21 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl trifluoromethanesulfonate is sourced from PubChem (CID 141485629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).