2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate

C7H11BF4N2OS — CID 14744467

IUPAC2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate
SMILESF[B-](F)(F)F.c1nsc(=[N+]2CCCCC2)o1
InChIInChI=1S/C7H11N2OS.BF4/c1-2-4-9(5-3-1)7-10-6-8-11-7;2-1(3,4)5/h6H,1-5H2;/q+1;-1
InChIKeyZWMFVIFIUHNNDC-UHFFFAOYSA-N
MW258.05 g/mol
LogP1.99
Rot. Bonds

About 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate

2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate (PubChem CID 14744467) has the molecular formula C7H11BF4N2OS and a molecular weight of 258.05 g/mol. Its IUPAC name is 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate.

Molecular Properties

Compound Name2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate
PubChem CID14744467
Molecular FormulaC7H11BF4N2OS
Molecular Weight258.05 g/mol
Exact Mass258.06
IUPAC Name2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate
SMILESF[B-](F)(F)F.c1nsc(=[N+]2CCCCC2)o1
InChIInChI=1S/C7H11N2OS.BF4/c1-2-4-9(5-3-1)7-10-6-8-11-7;2-1(3,4)5/h6H,1-5H2;/q+1;-1
InChIKeyZWMFVIFIUHNNDC-UHFFFAOYSA-N
XLogP1.99
TPSA29.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.05
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate?
The IUPAC name of 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate (CID 14744467) is 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate.
What is the SMILES notation for 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate?
The canonical SMILES for 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate is F[B-](F)(F)F.c1nsc(=[N+]2CCCCC2)o1.
What is the InChIKey of 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate?
The InChIKey is ZWMFVIFIUHNNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2OS.BF4/c1-2-4-9(5-3-1)7-10-6-8-11-7;2-1(3,4)5/h6H,1-5H2;/q+1;-1.
What are the key properties of 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate?
2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate has a molecular weight of 258.05 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ium-1-ylidene-1,3,4-oxathiazole tetrafluoroborate is sourced from PubChem (CID 14744467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).