(4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine

C11H19N3 — CID 123790750

IUPAC(4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C(=C)N1CCNCC1)CC
InChIInChI=1S/C11H19N3/c1-3-11(12)5-4-10(2)14-8-6-13-7-9-14/h4-5,12-13H,2-3,6-9H2,1H3/b5-4-,12-11+
InChIKeyVJIYPVGLMARONV-LKYDAOQMSA-N
MW193.29 g/mol
LogP1.39
Rot. Bonds4

About (4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine

(4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine (PubChem CID 123790750) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is (4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine.

Molecular Properties

Compound Name(4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine
PubChem CID123790750
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name(4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine
SMILES[H]/N=C(/C=C\C(=C)N1CCNCC1)CC
InChIInChI=1S/C11H19N3/c1-3-11(12)5-4-10(2)14-8-6-13-7-9-14/h4-5,12-13H,2-3,6-9H2,1H3/b5-4-,12-11+
InChIKeyVJIYPVGLMARONV-LKYDAOQMSA-N
XLogP1.39
TPSA39.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexa-1,5-dien-1-ylpiperazine
CID 66776245
4-diazo-N-ethylcyclohexa-1,5-dien-1-amine
CID 88309924
N'-[(2E,4Z)-6-iminohepta-2,4-dien-3-yl]-N-propylethane-1,2-diamine
CID 117908132
N'-[(3Z)-5-iminohexa-1,3-dien-2-yl]-N-propylethane-1,2-diamine
CID 118146500
7-Imino-3-(4-methylpiperazin-1-yl)cyclohepta-1,3,5-trien-1-amine
CID 123179101
7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine
CID 123367938
1-Hepta-2,4-dien-4-ylpiperazine
CID 123513416
(4Z)-6-(4-methylpiperazin-1-yl)hepta-4,6-dien-3-imine
CID 123704792
(3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine
CID 123708264
(E)-5-(4-methylpiperazin-1-yl)hex-4-en-3-imine
CID 123714224
2-methyl-6-piperazin-1-yl-2H-azepine
CID 134406061
2,7-dimethyl-4-piperazin-1-yl-3H-azepine
CID 134406844

Frequently Asked Questions

What is the IUPAC name of (4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine?
The IUPAC name of (4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine (CID 123790750) is (4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine.
What is the SMILES notation for (4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine?
The canonical SMILES for (4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine is [H]/N=C(/C=C\C(=C)N1CCNCC1)CC.
What is the InChIKey of (4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine?
The InChIKey is VJIYPVGLMARONV-LKYDAOQMSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-11(12)5-4-10(2)14-8-6-13-7-9-14/h4-5,12-13H,2-3,6-9H2,1H3/b5-4-,12-11+.
What are the key properties of (4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine?
(4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine has a molecular weight of 193.29 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine is sourced from PubChem (CID 123790750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).