(Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine

C11H18N4 — CID 176666314

IUPAC(Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine
SMILES[H]/N=C/C=C\C(=N/[H])N1CCN(C(=C)C)CC1
InChIInChI=1S/C11H18N4/c1-10(2)14-6-8-15(9-7-14)11(13)4-3-5-12/h3-5,12-13H,1,6-9H2,2H3/b4-3-,12-5+,13-11+
InChIKeyPWKSTDDLRCPWDS-WOYUMTTFSA-N
MW206.29 g/mol
LogP1.32
Rot. Bonds3

About (Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine

(Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine (PubChem CID 176666314) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is (Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine
PubChem CID176666314
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name(Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine
SMILES[H]/N=C/C=C\C(=N/[H])N1CCN(C(=C)C)CC1
InChIInChI=1S/C11H18N4/c1-10(2)14-6-8-15(9-7-14)11(13)4-3-5-12/h3-5,12-13H,1,6-9H2,2H3/b4-3-,12-5+,13-11+
InChIKeyPWKSTDDLRCPWDS-WOYUMTTFSA-N
XLogP1.32
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(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
5-Piperazin-1-yl-1-prop-1-en-2-ylpyridin-2-imine
CID 123260475
2-amino-N-[2-(dimethylamino)ethyl]-N,N'-diethyl-4-iminobut-2-enimidamide
CID 124003006
ethane;1-[4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanimine
CID 142132350
ethane;(E)-4-methylimino-4-(4-methylpiperazin-1-yl)but-2-en-2-amine
CID 144622151
3-Imino-3-(4-methylpiperazin-1-yl)prop-1-ene-1,1-diamine
CID 144622377
ethane;(2Z)-2-(4-ethylpiperazin-2-ylidene)ethanimidamide
CID 145573509
N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane
CID 156866753
(Z)-N'-[1-(4-methylpiperazin-1-yl)ethylidene]prop-2-ene-1,3-diimine
CID 163573336
3-amino-N'-[1-amino-3-imino-3-(4-methylpiperazin-1-yl)prop-1-enyl]but-2-enimidamide
CID 173492987
N'-[4-methylimino-1-(6-methylimino-2,3-dihydropyrazin-1-yl)but-2-en-2-yl]methanimidamide
CID 173552017

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine?
The IUPAC name of (Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine (CID 176666314) is (Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine?
The canonical SMILES for (Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine is [H]/N=C/C=C\C(=N/[H])N1CCN(C(=C)C)CC1.
What is the InChIKey of (Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine?
The InChIKey is PWKSTDDLRCPWDS-WOYUMTTFSA-N. The full InChI is InChI=1S/C11H18N4/c1-10(2)14-6-8-15(9-7-14)11(13)4-3-5-12/h3-5,12-13H,1,6-9H2,2H3/b4-3-,12-5+,13-11+.
What are the key properties of (Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine?
(Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine has a molecular weight of 206.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine is sourced from PubChem (CID 176666314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).