ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine

C13H24N2 — CID 143059100

IUPACethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine
SMILESC=C/C=C\C(=C/C)N1CCNCC1.CC
InChIInChI=1S/C11H18N2.C2H6/c1-3-5-6-11(4-2)13-9-7-12-8-10-13;1-2/h3-6,12H,1,7-10H2,2H3;1-2H3/b6-5-,11-4+;
InChIKeyGGSAEPXTKXWHDH-LYMAPDCLSA-N
MW208.35 g/mol
LogP2.56
Rot. Bonds3

About ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine

ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine (PubChem CID 143059100) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine.

Molecular Properties

Compound Nameethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine
PubChem CID143059100
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine
SMILESC=C/C=C\C(=C/C)N1CCNCC1.CC
InChIInChI=1S/C11H18N2.C2H6/c1-3-5-6-11(4-2)13-9-7-12-8-10-13;1-2/h3-6,12H,1,7-10H2,2H3;1-2H3/b6-5-,11-4+;
InChIKeyGGSAEPXTKXWHDH-LYMAPDCLSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[(2E,4Z)-hexa-2,4-dien-3-yl]-1,4-diazepane
CID 143232699
1-penta-2,4-dienylpiperazine
CID 54045555
1-hepta-1,3,5-trien-2-ylpiperazine
CID 90763085
ethane;1-[(3Z,5E)-nona-1,3,5-trien-5-yl]pyrrolidine
CID 143436314
ethane;4-[(2Z,4Z)-hepta-2,4,6-trien-3-yl]piperidine
CID 142942953
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CID 168939199
1-[(3E)-hexa-3,5-dien-3-yl]piperazine
CID 144808448
ethane;1-[(2E,4E)-5-(trifluoromethyl)hepta-2,4,6-trien-2-yl]piperazine
CID 143734563
1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-2,5-dimethylidenepyrrole
CID 134505198
(E)-1,4-di(piperazin-1-yl)but-2-ene-1,4-dione
CID 141152573
ethene;1-piperazin-1-ylethanone
CID 145071339
4-methyl-4-[(3Z,5Z)-3-methylocta-1,3,5,7-tetraen-4-yl]piperidine
CID 138613893

Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine?
The IUPAC name of ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine (CID 143059100) is ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine.
What is the SMILES notation for ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine?
The canonical SMILES for ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine is C=C/C=C\C(=C/C)N1CCNCC1.CC.
What is the InChIKey of ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine?
The InChIKey is GGSAEPXTKXWHDH-LYMAPDCLSA-N. The full InChI is InChI=1S/C11H18N2.C2H6/c1-3-5-6-11(4-2)13-9-7-12-8-10-13;1-2/h3-6,12H,1,7-10H2,2H3;1-2H3/b6-5-,11-4+;.
What are the key properties of ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine?
ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine has a molecular weight of 208.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2E,4Z)-hepta-2,4,6-trien-3-yl]piperazine is sourced from PubChem (CID 143059100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).