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

C15H28N3+ — CID 134875137

IUPAC[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium
SMILESC[N+](C)=C/C(=C/N1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H28N3/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/q+1
InChIKeyYRPBXUYMFFPLCX-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.14
Rot. Bonds3

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

[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium (PubChem CID 134875137) has the molecular formula C15H28N3+ and a molecular weight of 250.41 g/mol. Its IUPAC name is [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium
PubChem CID134875137
Molecular FormulaC15H28N3+
Molecular Weight250.41 g/mol
Exact Mass250.23
IUPAC Name[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium
SMILESC[N+](C)=C/C(=C/N1CCCCC1)N1CCCCC1
InChIInChI=1S/C15H28N3/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/q+1
InChIKeyYRPBXUYMFFPLCX-UHFFFAOYSA-N
XLogP2.14
TPSA9.49 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.14
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

[(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-[(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-fluoro-3-piperidin-1-ium-1-ylideneprop-1-enyl]piperidine iodide
CID 10926203

Frequently Asked Questions

What is the IUPAC name of [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium (CID 134875137) is [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium is C[N+](C)=C/C(=C/N1CCCCC1)N1CCCCC1.
What is the InChIKey of [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium?
The InChIKey is YRPBXUYMFFPLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N3/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/q+1.
What are the key properties of [(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium?
[(Z)-2,3-di(piperidin-1-yl)prop-2-enylidene]-dimethylazanium has a molecular weight of 250.41 g/mol, XLogP of 2.14, 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 is sourced from PubChem (CID 134875137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).