[(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium

C12H24N3+ — CID 154723610

IUPAC[(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(/C=[N+](C)C)C1CCNCC1
InChIInChI=1S/C12H24N3/c1-14(2)9-12(10-15(3)4)11-5-7-13-8-6-11/h9-11,13H,5-8H2,1-4H3/q+1
InChIKeyWTCAISOIQMUALV-UHFFFAOYSA-N
MW210.34 g/mol
LogP0.77
Rot. Bonds3

About [(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium

[(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium (PubChem CID 154723610) has the molecular formula C12H24N3+ and a molecular weight of 210.34 g/mol. Its IUPAC name is [(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium
PubChem CID154723610
Molecular FormulaC12H24N3+
Molecular Weight210.34 g/mol
Exact Mass210.20
IUPAC Name[(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(/C=[N+](C)C)C1CCNCC1
InChIInChI=1S/C12H24N3/c1-14(2)9-12(10-15(3)4)11-5-7-13-8-6-11/h9-11,13H,5-8H2,1-4H3/q+1
InChIKeyWTCAISOIQMUALV-UHFFFAOYSA-N
XLogP0.77
TPSA18.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
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

2-(4,4-Difluoropiperidin-3-yl)-3-methyliminoprop-1-en-1-amine
CID 173980595
1-Methyl-5-piperidin-4-ylpyrimidin-2-one
CID 59627424
N-methyl-2-(4-methylpiperidin-4-yl)prop-2-en-1-imine
CID 123415912
N-ethenyl-2-(1-methylpiperidin-4-yl)prop-2-en-1-imine
CID 123879121
(Z)-3-imino-2-(2-methylpiperidin-3-yl)prop-1-en-1-amine
CID 139357837
(Z)-2-(5-dimethylphosphanylpiperidin-3-yl)-3-iminoprop-1-en-1-amine
CID 139358059
(Z)-2-[5-(azetidin-1-ylmethyl)piperidin-3-yl]-3-iminoprop-1-en-1-amine
CID 139358109
(Z)-2-(2,5-dimethylpiperidin-3-yl)-3-iminoprop-1-en-1-amine
CID 139358974
N-(2-methylprop-1-enyl)-1-piperidin-4-ylprop-2-en-1-imine
CID 143003964
(Z)-3-imino-2-piperidin-4-ylprop-1-en-1-amine
CID 143782075
2-Piperidin-4-ylprop-2-en-1-imine
CID 143928248
(Z)-N-ethenyl-2-piperidin-3-ylbut-2-en-1-imine
CID 144729142

Frequently Asked Questions

What is the IUPAC name of [(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium?
The IUPAC name of [(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium (CID 154723610) is [(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium is CN(C)/C=C(/C=[N+](C)C)C1CCNCC1.
What is the InChIKey of [(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium?
The InChIKey is WTCAISOIQMUALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N3/c1-14(2)9-12(10-15(3)4)11-5-7-13-8-6-11/h9-11,13H,5-8H2,1-4H3/q+1.
What are the key properties of [(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium?
[(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium has a molecular weight of 210.34 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(dimethylamino)-2-piperidin-4-ylprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 154723610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).