1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate

C13H23F6N2P — CID 11198949

IUPAC1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate
SMILESC(/C=C/N1CCCCC1)=[N+]1CCCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C13H23N2.F6P/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-7(2,3,4,5)6/h7,12-13H,1-6,8-11H2;/q+1;-1
InChIKeyKAANYYCJBTWRTD-UHFFFAOYSA-N
MW352.30 g/mol
LogP5.64
Rot. Bonds2

About 1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate

1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate (PubChem CID 11198949) has the molecular formula C13H23F6N2P and a molecular weight of 352.30 g/mol. Its IUPAC name is 1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate.

Molecular Properties

Compound Name1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate
PubChem CID11198949
Molecular FormulaC13H23F6N2P
Molecular Weight352.30 g/mol
Exact Mass352.15
IUPAC Name1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate
SMILESC(/C=C/N1CCCCC1)=[N+]1CCCCC1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C13H23N2.F6P/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-7(2,3,4,5)6/h7,12-13H,1-6,8-11H2;/q+1;-1
InChIKeyKAANYYCJBTWRTD-UHFFFAOYSA-N
XLogP5.64
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.30
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]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

Related Compounds

1-(5-Piperidin-1-ium-1-ylidenepenta-1,3-dienyl)piperidine
CID 90858
1-[(Z)-2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate
CID 11361189
1-[(1E,3E)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
CID 5475710
1-[(1Z,3Z)-5-piperidin-1-ium-1-ylidenepenta-1,3-dienyl]piperidine
CID 92526206
1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine
CID 11198950
1-(3-Piperidin-1-ium-1-ylideneprop-1-enyl)piperidine
CID 71356626
1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine;trifluoroborane;fluoride
CID 157557018
E-1-(2-Chloro-3-(piperidin-1-yl)allylidene)piperidin-1-ium Hexafluorophosphate(V)
CID 171382295

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate?
The IUPAC name of 1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate (CID 11198949) is 1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate.
What is the SMILES notation for 1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate?
The canonical SMILES for 1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate is C(/C=C/N1CCCCC1)=[N+]1CCCCC1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate?
The InChIKey is KAANYYCJBTWRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2.F6P/c1-3-8-14(9-4-1)12-7-13-15-10-5-2-6-11-15;1-7(2,3,4,5)6/h7,12-13H,1-6,8-11H2;/q+1;-1.
What are the key properties of 1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate?
1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate has a molecular weight of 352.30 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate is sourced from PubChem (CID 11198949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).