1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate

C11H21BF4N2 — CID 10890862

IUPAC1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate
SMILESC(N1CCCCC1)=[N+]1CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C11H21N2.BF4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2-1(3,4)5/h11H,1-10H2;/q+1;-1
InChIKeyMLONYVZBYSNPGS-UHFFFAOYSA-N
MW268.11 g/mol
LogP3.00
Rot. Bonds1

About 1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate

1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate (PubChem CID 10890862) has the molecular formula C11H21BF4N2 and a molecular weight of 268.11 g/mol. Its IUPAC name is 1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate.

Molecular Properties

Compound Name1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate
PubChem CID10890862
Molecular FormulaC11H21BF4N2
Molecular Weight268.11 g/mol
Exact Mass268.17
IUPAC Name1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate
SMILESC(N1CCCCC1)=[N+]1CCCCC1.F[B-](F)(F)F
InChIInChI=1S/C11H21N2.BF4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2-1(3,4)5/h11H,1-10H2;/q+1;-1
InChIKeyMLONYVZBYSNPGS-UHFFFAOYSA-N
XLogP3.00
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate?
The IUPAC name of 1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate (CID 10890862) is 1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate.
What is the SMILES notation for 1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate?
The canonical SMILES for 1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate is C(N1CCCCC1)=[N+]1CCCCC1.F[B-](F)(F)F.
What is the InChIKey of 1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate?
The InChIKey is MLONYVZBYSNPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2.BF4/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;2-1(3,4)5/h11H,1-10H2;/q+1;-1.
What are the key properties of 1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate?
1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate has a molecular weight of 268.11 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-1-ium-1-ylidenemethyl)piperidine tetrafluoroborate is sourced from PubChem (CID 10890862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).