1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate

C11H20F7N2P — CID 11121469

IUPAC1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate
SMILESFC(N1CCCCC1)=[N+]1CCCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C11H20FN2.F6P/c12-11(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-7(2,3,4,5)6/h1-10H2;/q+1;-1
InChIKeyKWQZSZHRSVNGBG-UHFFFAOYSA-N
MW344.26 g/mol
LogP5.38
Rot. Bonds

About 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate

1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate (PubChem CID 11121469) has the molecular formula C11H20F7N2P and a molecular weight of 344.26 g/mol. Its IUPAC name is 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate.

Molecular Properties

Compound Name1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate
PubChem CID11121469
Molecular FormulaC11H20F7N2P
Molecular Weight344.26 g/mol
Exact Mass344.13
IUPAC Name1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate
SMILESFC(N1CCCCC1)=[N+]1CCCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C11H20FN2.F6P/c12-11(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-7(2,3,4,5)6/h1-10H2;/q+1;-1
InChIKeyKWQZSZHRSVNGBG-UHFFFAOYSA-N
XLogP5.38
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.26
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate?
The IUPAC name of 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate (CID 11121469) is 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate.
What is the SMILES notation for 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate?
The canonical SMILES for 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate is FC(N1CCCCC1)=[N+]1CCCCC1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate?
The InChIKey is KWQZSZHRSVNGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN2.F6P/c12-11(13-7-3-1-4-8-13)14-9-5-2-6-10-14;1-7(2,3,4,5)6/h1-10H2;/q+1;-1.
What are the key properties of 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate?
1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate has a molecular weight of 344.26 g/mol, XLogP of 5.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(piperidin-1-ium-1-ylidene)methyl]piperidine hexafluorophosphate is sourced from PubChem (CID 11121469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).