1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide

C13H22FIN2 — CID 10926203

IUPAC1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide
SMILESF/C(C=[N+]1CCCCC1)=C\N1CCCCC1.[I-]
InChIInChI=1S/C13H22FN2.HI/c14-13(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16;/h11-12H,1-10H2;1H/q+1;/p-1
InChIKeyHQLKNGFRRARVRE-UHFFFAOYSA-M
MW352.24 g/mol
LogP-0.45
Rot. Bonds2

About 1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide

1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide (PubChem CID 10926203) has the molecular formula C13H22FIN2 and a molecular weight of 352.24 g/mol. Its IUPAC name is 1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide.

Molecular Properties

Compound Name1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide
PubChem CID10926203
Molecular FormulaC13H22FIN2
Molecular Weight352.24 g/mol
Exact Mass352.08
IUPAC Name1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide
SMILESF/C(C=[N+]1CCCCC1)=C\N1CCCCC1.[I-]
InChIInChI=1S/C13H22FN2.HI/c14-13(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16;/h11-12H,1-10H2;1H/q+1;/p-1
InChIKeyHQLKNGFRRARVRE-UHFFFAOYSA-M
XLogP-0.45
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine
CID 10926204
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-(2-Chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine
CID 72816687
1-[(E)-2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine
CID 89692926
1-[(Z)-2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine
CID 11361190
[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium
CID 134875137

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide?
The IUPAC name of 1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide (CID 10926203) is 1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide.
What is the SMILES notation for 1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide?
The canonical SMILES for 1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide is F/C(C=[N+]1CCCCC1)=C\N1CCCCC1.[I-].
What is the InChIKey of 1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide?
The InChIKey is HQLKNGFRRARVRE-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H22FN2.HI/c14-13(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16;/h11-12H,1-10H2;1H/q+1;/p-1.
What are the key properties of 1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide?
1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide has a molecular weight of 352.24 g/mol, XLogP of -0.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide is sourced from PubChem (CID 10926203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).