5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine

C12H18N4 — CID 123260475

IUPAC5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine
SMILES[H]/N=c1\ccc(N2CCNCC2)cn1C(=C)C
InChIInChI=1S/C12H18N4/c1-10(2)16-9-11(3-4-12(16)13)15-7-5-14-6-8-15/h3-4,9,13-14H,1,5-8H2,2H3/b13-12+
InChIKeyJIQQZRIBVIQTMM-OUKQBFOZSA-N
MW218.30 g/mol
LogP0.87
Rot. Bonds2

About 5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine

5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine (PubChem CID 123260475) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine.

Molecular Properties

Compound Name5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine
PubChem CID123260475
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine
SMILES[H]/N=c1\ccc(N2CCNCC2)cn1C(=C)C
InChIInChI=1S/C12H18N4/c1-10(2)16-9-11(3-4-12(16)13)15-7-5-14-6-8-15/h3-4,9,13-14H,1,5-8H2,2H3/b13-12+
InChIKeyJIQQZRIBVIQTMM-OUKQBFOZSA-N
XLogP0.87
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-imino-1-pyridyl)ethyl]propan-2-amine
CID 469972
4-fluoro-N-methyl-1-[(2R)-3-piperazin-1-ylbutan-2-yl]pyridin-2-imine
CID 174250061
(Z)-N-ethenyl-1-piperazin-1-ylbut-2-en-1-imine
CID 67557751
(E)-4-imino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 68400036
(Z)-4-ethenylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 89881701
(1E)-2-(4,4-dimethylpiperazin-4-ium-1-yl)-2-imino-1-(1H-pyridin-2-ylidene)ethanamine
CID 137215408
(2E)-2-amino-N'-[2-(4-propylpiperazin-1-yl)ethyl]-2-(1H-pyridin-2-ylidene)ethanimidamide
CID 137215412
(2E)-2-[1-amino-2-imino-2-(4-methylpiperazin-1-yl)ethylidene]-N,N-dimethyl-1H-pyridin-3-amine
CID 137215416
(Z)-3-imino-N-methyl-3-(4-methylpiperazin-1-yl)prop-1-en-1-amine
CID 142094873
ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine
CID 142132350
N'-[2-[(1-methyl-2H-pyridin-4-yl)amino]ethyl]ethanimidamide
CID 142175218
ethane;(2E)-1-methylimino-1-piperazin-1-yl-N-propan-2-ylpenta-2,4-dien-2-amine
CID 144239693

Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine?
The IUPAC name of 5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine (CID 123260475) is 5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine.
What is the SMILES notation for 5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine?
The canonical SMILES for 5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine is [H]/N=c1\ccc(N2CCNCC2)cn1C(=C)C.
What is the InChIKey of 5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine?
The InChIKey is JIQQZRIBVIQTMM-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H18N4/c1-10(2)16-9-11(3-4-12(16)13)15-7-5-14-6-8-15/h3-4,9,13-14H,1,5-8H2,2H3/b13-12+.
What are the key properties of 5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine?
5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine has a molecular weight of 218.30 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine is sourced from PubChem (CID 123260475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).