[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride

C15H28ClN3 — CID 134875136

IUPAC[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride
SMILESC[N+](C)=C/C(=C/N1CCCCC1)N1CCCCC1.[Cl-]
InChIInChI=1S/C15H28N3.ClH/c1-16(2)13-15(18-11-7-4-8-12-18)14-17-9-5-3-6-10-17;/h13-14H,3-12H2,1-2H3;1H/q+1;/p-1
InChIKeySVBOFFANBIXMSJ-UHFFFAOYSA-M
MW285.86 g/mol
LogP-0.85
Rot. Bonds3

About [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride

[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride (PubChem CID 134875136) has the molecular formula C15H28ClN3 and a molecular weight of 285.86 g/mol. Its IUPAC name is [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride.

Molecular Properties

Compound Name[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride
PubChem CID134875136
Molecular FormulaC15H28ClN3
Molecular Weight285.86 g/mol
Exact Mass285.20
IUPAC Name[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride
SMILESC[N+](C)=C/C(=C/N1CCCCC1)N1CCCCC1.[Cl-]
InChIInChI=1S/C15H28N3.ClH/c1-16(2)13-15(18-11-7-4-8-12-18)14-17-9-5-3-6-10-17;/h13-14H,3-12H2,1-2H3;1H/q+1;/p-1
InChIKeySVBOFFANBIXMSJ-UHFFFAOYSA-M
XLogP-0.85
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 5-0.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[(E)-1-piperidin-1-ylprop-1-en-2-yl]piperidine
CID 21499135
1-(1-Piperidin-1-ylprop-1-en-2-yl)piperidine
CID 53750056
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
N-methyl-2-piperidin-1-ylprop-2-en-1-imine
CID 129301015
(E)-3-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
CID 139420880
3-[1-(1-Methylpiperidin-4-yl)piperidin-4-yl]iminoprop-1-ene-1,2-diamine
CID 173820408
1-[(Z)-2-chloro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine
CID 11361190
(E)-N-methyl-2-piperidin-1-ylbut-2-en-1-imine
CID 13699558

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride?
The IUPAC name of [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride (CID 134875136) is [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride.
What is the SMILES notation for [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride?
The canonical SMILES for [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride is C[N+](C)=C/C(=C/N1CCCCC1)N1CCCCC1.[Cl-].
What is the InChIKey of [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride?
The InChIKey is SVBOFFANBIXMSJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H28N3.ClH/c1-16(2)13-15(18-11-7-4-8-12-18)14-17-9-5-3-6-10-17;/h13-14H,3-12H2,1-2H3;1H/q+1;/p-1.
What are the key properties of [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride?
[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride has a molecular weight of 285.86 g/mol, XLogP of -0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium chloride is sourced from PubChem (CID 134875136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).