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

C12H22N4 — CID 176666498

IUPAC(Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine
SMILES[H]/N=C/C=C\C(=N/[H])N1CCN(C(C)CC)CC1
InChIInChI=1S/C12H22N4/c1-3-11(2)15-7-9-16(10-8-15)12(14)5-4-6-13/h4-6,11,13-14H,3,7-10H2,1-2H3/b5-4-,13-6+,14-12+
InChIKeySUCHHANCHCLSIJ-URDUZRCCSA-N
MW222.34 g/mol
LogP1.59
Rot. Bonds4

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

(Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine (PubChem CID 176666498) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine.

Molecular Properties

Compound Name(Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine
PubChem CID176666498
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine
SMILES[H]/N=C/C=C\C(=N/[H])N1CCN(C(C)CC)CC1
InChIInChI=1S/C12H22N4/c1-3-11(2)15-7-9-16(10-8-15)12(14)5-4-6-13/h4-6,11,13-14H,3,7-10H2,1-2H3/b5-4-,13-6+,14-12+
InChIKeySUCHHANCHCLSIJ-URDUZRCCSA-N
XLogP1.59
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.59
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'}

Analyze (Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide;ethane
CID 156866753
(3R)-N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine
CID 165119534
N-cyclopropyl-1-[(Z)-4-iminobut-2-enimidoyl]piperidin-3-amine
CID 165120115
(Z)-N-cyclopropyl-4-imino-N-piperidin-3-ylbut-2-enimidamide
CID 170731591
1-[(Z)-but-2-enimidoyl]piperidin-3-amine
CID 174360114
N-[(Z)-1-(4,4-dimethylpiperazin-4-ium-1-yl)but-2-enylidene]methanimidamide
CID 156866754
(Z)-1-(4-prop-1-en-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine
CID 176666314

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine?
The IUPAC name of (Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine (CID 176666498) is (Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine.
What is the SMILES notation for (Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine?
The canonical SMILES for (Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine is [H]/N=C/C=C\C(=N/[H])N1CCN(C(C)CC)CC1.
What is the InChIKey of (Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine?
The InChIKey is SUCHHANCHCLSIJ-URDUZRCCSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-11(2)15-7-9-16(10-8-15)12(14)5-4-6-13/h4-6,11,13-14H,3,7-10H2,1-2H3/b5-4-,13-6+,14-12+.
What are the key properties of (Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine?
(Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine has a molecular weight of 222.34 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-butan-2-ylpiperazin-1-yl)but-2-ene-1,4-diimine is sourced from PubChem (CID 176666498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).