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

C11H21F6N2P — CID 11834365

IUPAC1-(piperidin-1-ium-1-ylidenemethyl)piperidine hexafluorophosphate
SMILESC(N1CCCCC1)=[N+]1CCCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C11H21N2.F6P/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-7(2,3,4,5)6/h11H,1-10H2;/q+1;-1
InChIKeyICSGLXGEUREJFP-UHFFFAOYSA-N
MW326.27 g/mol
LogP5.08
Rot. Bonds1

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

1-(piperidin-1-ium-1-ylidenemethyl)piperidine hexafluorophosphate (PubChem CID 11834365) has the molecular formula C11H21F6N2P and a molecular weight of 326.27 g/mol. Its IUPAC name is 1-(piperidin-1-ium-1-ylidenemethyl)piperidine hexafluorophosphate.

Molecular Properties

Compound Name1-(piperidin-1-ium-1-ylidenemethyl)piperidine hexafluorophosphate
PubChem CID11834365
Molecular FormulaC11H21F6N2P
Molecular Weight326.27 g/mol
Exact Mass326.13
IUPAC Name1-(piperidin-1-ium-1-ylidenemethyl)piperidine hexafluorophosphate
SMILESC(N1CCCCC1)=[N+]1CCCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C11H21N2.F6P/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-7(2,3,4,5)6/h11H,1-10H2;/q+1;-1
InChIKeyICSGLXGEUREJFP-UHFFFAOYSA-N
XLogP5.08
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.27
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', '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 hexafluorophosphate?
The IUPAC name of 1-(piperidin-1-ium-1-ylidenemethyl)piperidine hexafluorophosphate (CID 11834365) is 1-(piperidin-1-ium-1-ylidenemethyl)piperidine hexafluorophosphate.
What is the SMILES notation for 1-(piperidin-1-ium-1-ylidenemethyl)piperidine hexafluorophosphate?
The canonical SMILES for 1-(piperidin-1-ium-1-ylidenemethyl)piperidine hexafluorophosphate is C(N1CCCCC1)=[N+]1CCCCC1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-(piperidin-1-ium-1-ylidenemethyl)piperidine hexafluorophosphate?
The InChIKey is ICSGLXGEUREJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N2.F6P/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-7(2,3,4,5)6/h11H,1-10H2;/q+1;-1.
What are the key properties of 1-(piperidin-1-ium-1-ylidenemethyl)piperidine hexafluorophosphate?
1-(piperidin-1-ium-1-ylidenemethyl)piperidine hexafluorophosphate has a molecular weight of 326.27 g/mol, XLogP of 5.08, 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 hexafluorophosphate is sourced from PubChem (CID 11834365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).