1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine

C28H48N4 — CID 143257801

IUPAC1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine
SMILESC/C=C\C(=C/C)N1CCN(CC(C)(C)CC(C)(C)N2CCN(C3=CCCC=C3)CC2)CC1
InChIInChI=1S/C28H48N4/c1-7-12-25(8-2)30-17-15-29(16-18-30)24-27(3,4)23-28(5,6)32-21-19-31(20-22-32)26-13-10-9-11-14-26/h7-8,10,12-14H,9,11,15-24H2,1-6H3/b12-7-,25-8+
InChIKeyWOKQBHPVOHXEHL-QOEAZALHSA-N
MW440.72 g/mol
LogP5.13
Rot. Bonds8

About 1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine

1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine (PubChem CID 143257801) has the molecular formula C28H48N4 and a molecular weight of 440.72 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine
PubChem CID143257801
Molecular FormulaC28H48N4
Molecular Weight440.72 g/mol
Exact Mass440.39
IUPAC Name1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine
SMILESC/C=C\C(=C/C)N1CCN(CC(C)(C)CC(C)(C)N2CCN(C3=CCCC=C3)CC2)CC1
InChIInChI=1S/C28H48N4/c1-7-12-25(8-2)30-17-15-29(16-18-30)24-27(3,4)23-28(5,6)32-21-19-31(20-22-32)26-13-10-9-11-14-26/h7-8,10,12-14H,9,11,15-24H2,1-6H3/b12-7-,25-8+
InChIKeyWOKQBHPVOHXEHL-QOEAZALHSA-N
XLogP5.13
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.72
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine 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

2-[5-(2,2-dimethylpiperidin-1-yl)hexa-1,5-dien-2-yl]-3,4,6,7-tetrahydro-1H-isoquinoline
CID 134312092
N-but-1-en-2-yl-N-[[4-[4-(cyclohexa-1,5-dien-1-ylmethyl)piperazin-1-yl]-1-methylpiperidin-4-yl]methyl]cyclohexa-1,5-dien-1-amine
CID 139471535
1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine;ethane
CID 143257800
6,6-Dimethyl-2-(3-methyl-2,6-dimethylidenepiperidin-3-yl)-1-methylidene-3,4-dihydrocyclohepta[c]pyridine
CID 153544501
1-[(2Z)-2-(2,2-dimethylpropyl)-3,4-dimethylpenta-2,4-dienyl]-4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperazine;ethane
CID 153567942
1-ethyl-2-methylidene-7-[1-methyl-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-yl]-4-piperidin-1-yl-5H-cyclohepta[b]pyridine
CID 155262859
4-(3-Methylbutan-2-yl)-1-[1-(1-methylcyclohexa-2,4-dien-1-yl)ethenyl]-2-propylpiperazine
CID 168231882
1-[1-(5,5-Dimethylcyclohexa-1,3-dien-1-yl)piperidin-4-yl]-4-methylpiperazine
CID 168870455
1,1'-(5,5-Dimethylcyclohexa-1,3-diene-1,3-diyl)dipiperidine
CID 13211652
1-[(2Z)-2-(2,2-dimethylpropyl)-3,4-dimethylpenta-2,4-dienyl]-4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]piperazine
CID 153567943
1-(5-Propan-2-ylcyclohexa-1,5-dien-1-yl)-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 172298414

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine (CID 143257801) is 1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine is C/C=C\C(=C/C)N1CCN(CC(C)(C)CC(C)(C)N2CCN(C3=CCCC=C3)CC2)CC1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine?
The InChIKey is WOKQBHPVOHXEHL-QOEAZALHSA-N. The full InChI is InChI=1S/C28H48N4/c1-7-12-25(8-2)30-17-15-29(16-18-30)24-27(3,4)23-28(5,6)32-21-19-31(20-22-32)26-13-10-9-11-14-26/h7-8,10,12-14H,9,11,15-24H2,1-6H3/b12-7-,25-8+.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine?
1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine has a molecular weight of 440.72 g/mol, XLogP of 5.13, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-4-[5-[4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperazin-1-yl]-2,4,4-trimethylpentan-2-yl]piperazine is sourced from PubChem (CID 143257801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).