1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine

C13H22ClN2+ — CID 72816687

IUPAC1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine
SMILESClC(=CN1CCCCC1)C=[N+]1CCCCC1
InChIInChI=1S/C13H22ClN2/c14-13(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h11-12H,1-10H2/q+1
InChIKeyMMWKQLGDLFEKIM-UHFFFAOYSA-N
MW241.79 g/mol
LogP2.82
Rot. Bonds2

About 1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine

1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine (PubChem CID 72816687) has the molecular formula C13H22ClN2+ and a molecular weight of 241.79 g/mol. Its IUPAC name is 1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine.

Molecular Properties

Compound Name1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine
PubChem CID72816687
Molecular FormulaC13H22ClN2+
Molecular Weight241.79 g/mol
Exact Mass241.15
IUPAC Name1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine
SMILESClC(=CN1CCCCC1)C=[N+]1CCCCC1
InChIInChI=1S/C13H22ClN2/c14-13(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h11-12H,1-10H2/q+1
InChIKeyMMWKQLGDLFEKIM-UHFFFAOYSA-N
XLogP2.82
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.79
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine hexafluorophosphate
CID 11361189
[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride
CID 134875136
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-[(E)-2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine
CID 89692926
1-[(Z)-2-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide
CID 10926203
1-[(Z)-2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine
CID 11361190
1-[(Z)-2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine tetrafluoroborate
CID 11472940
[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium
CID 134875137
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-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine?
The IUPAC name of 1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine (CID 72816687) is 1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine.
What is the SMILES notation for 1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine?
The canonical SMILES for 1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine is ClC(=CN1CCCCC1)C=[N+]1CCCCC1.
What is the InChIKey of 1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine?
The InChIKey is MMWKQLGDLFEKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN2/c14-13(11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h11-12H,1-10H2/q+1.
What are the key properties of 1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine?
1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine has a molecular weight of 241.79 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl)piperidine is sourced from PubChem (CID 72816687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).