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

C32H60N4 — CID 143257800

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;ethane
SMILESC/C=C\C(=C/C)N1CCN(CC(C)(C)CC(C)(C)N2CCN(C3=CCCC=C3)CC2)CC1.CC.CC
InChIInChI=1S/C28H48N4.2C2H6/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;2*1-2/h7-8,10,12-14H,9,11,15-24H2,1-6H3;2*1-2H3/b12-7-,25-8+;;
InChIKeySAPFOVILGYCRMW-QTATWMLSSA-N
MW500.86 g/mol
LogP7.18
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;ethane

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 (PubChem CID 143257800) has the molecular formula C32H60N4 and a molecular weight of 500.86 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;ethane.

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;ethane
PubChem CID143257800
Molecular FormulaC32H60N4
Molecular Weight500.86 g/mol
Exact Mass500.48
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;ethane
SMILESC/C=C\C(=C/C)N1CCN(CC(C)(C)CC(C)(C)N2CCN(C3=CCCC=C3)CC2)CC1.CC.CC
InChIInChI=1S/C28H48N4.2C2H6/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;2*1-2/h7-8,10,12-14H,9,11,15-24H2,1-6H3;2*1-2H3/b12-7-,25-8+;;
InChIKeySAPFOVILGYCRMW-QTATWMLSSA-N
XLogP7.18
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.86
LogP ≤ 57.18
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;ethane 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-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-[(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-tert-butyl-3,4-dihydro-2H-pyridine;1-tert-butyl-3,6-dihydro-2H-pyridine;1-tert-butylpiperidine;1-tert-butyl-2H-pyridine;2,5-ditert-butylcyclohexa-1,3-diene;1,4-ditert-butyl-3,4-dihydro-2H-pyridine;1,4-ditert-butyl-3,6-dihydro-2H-pyridine;1,4-ditert-butylpiperidine;tetrakis(2,2-dimethylpropane)
CID 159854259
bis(1,4-ditert-butyl-3,6-dihydro-2H-pyridine);bis(1,4-ditert-butylpiperazine);ethane
CID 165068604
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-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
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

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;ethane?
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;ethane (CID 143257800) 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;ethane.
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;ethane?
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;ethane is C/C=C\C(=C/C)N1CCN(CC(C)(C)CC(C)(C)N2CCN(C3=CCCC=C3)CC2)CC1.CC.CC.
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;ethane?
The InChIKey is SAPFOVILGYCRMW-QTATWMLSSA-N. The full InChI is InChI=1S/C28H48N4.2C2H6/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;2*1-2/h7-8,10,12-14H,9,11,15-24H2,1-6H3;2*1-2H3/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;ethane?
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 has a molecular weight of 500.86 g/mol, XLogP of 7.18, 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;ethane is sourced from PubChem (CID 143257800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).