1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine

C14H19N3 — CID 143791655

IUPAC1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine
SMILESC=c1cc(N2CCNCC2)nc/c1=C/C=C\C
InChIInChI=1S/C14H19N3/c1-3-4-5-13-11-16-14(10-12(13)2)17-8-6-15-7-9-17/h3-5,10-11,15H,2,6-9H2,1H3/b4-3-,13-5-
InChIKeyNUVKWQXKWMGUDK-OFNQYZMLSA-N
MW229.33 g/mol
LogP0.26
Rot. Bonds2

About 1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine

1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine (PubChem CID 143791655) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine
PubChem CID143791655
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine
SMILESC=c1cc(N2CCNCC2)nc/c1=C/C=C\C
InChIInChI=1S/C14H19N3/c1-3-4-5-13-11-16-14(10-12(13)2)17-8-6-15-7-9-17/h3-5,10-11,15H,2,6-9H2,1H3/b4-3-,13-5-
InChIKeyNUVKWQXKWMGUDK-OFNQYZMLSA-N
XLogP0.26
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Piperazin-1-yl-4a,8a-dihydroisoquinoline
CID 90436659
3-Piperazin-1-yl-4a,5-dihydroisoquinoline
CID 126734510
5-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]-2,3-dihydropyridin-2-amine
CID 137383022
(Z,Z)-2-methyl-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine;propane
CID 141979646
N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine;ethane
CID 142170699
(2Z,4E)-2,3-dimethyl-N-(3-piperazin-1-ylpropyl)hexa-2,4-dien-1-imine
CID 142365384
(Z)-N-[(E)-cyclohexa-2,4-dien-1-ylidene-(4-methylpiperazin-1-yl)methyl]ethanimine
CID 143058901
(4R)-3,4-dimethyl-2-piperazin-1-yl-4H-azepine
CID 143566763
ethane;7-piperazin-1-yl-3H-azepine
CID 156866991
(Z,Z)-2-methyl-N-(1-piperazin-1-ylethenyl)but-2-en-1-imine
CID 141979647
N,N'-dimethyl-N'-[1-[(Z)-[(E)-3-methyl-2-methylidenepent-3-enylidene]amino]ethenyl]ethane-1,2-diamine
CID 142170700
(Z,Z,5E)-3-ethenyl-5-(6-ethyl-3,4-dihydroazepin-2-ylidene)-N-[(Z)-1-piperazin-1-ylprop-1-enyl]pent-3-en-1-imine
CID 144127571

Frequently Asked Questions

What is the IUPAC name of 1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine?
The IUPAC name of 1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine (CID 143791655) is 1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine.
What is the SMILES notation for 1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine?
The canonical SMILES for 1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine is C=c1cc(N2CCNCC2)nc/c1=C/C=C\C.
What is the InChIKey of 1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine?
The InChIKey is NUVKWQXKWMGUDK-OFNQYZMLSA-N. The full InChI is InChI=1S/C14H19N3/c1-3-4-5-13-11-16-14(10-12(13)2)17-8-6-15-7-9-17/h3-5,10-11,15H,2,6-9H2,1H3/b4-3-,13-5-.
What are the key properties of 1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine?
1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine has a molecular weight of 229.33 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-2-pyridinyl]piperazine is sourced from PubChem (CID 143791655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).