1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine

C13H24N2 — CID 129043366

IUPAC1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine
SMILESC/C=C\C=C(/CC)CCN1CCNCC1
InChIInChI=1S/C13H24N2/c1-3-5-6-13(4-2)7-10-15-11-8-14-9-12-15/h3,5-6,14H,4,7-12H2,1-2H3/b5-3-,13-6+
InChIKeyITFFIXXPYCXYHG-ZPOUSACNSA-N
MW208.35 g/mol
LogP2.19
Rot. Bonds5

About 1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine

1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine (PubChem CID 129043366) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is 1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine.

Molecular Properties

Compound Name1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine
PubChem CID129043366
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Name1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine
SMILESC/C=C\C=C(/CC)CCN1CCNCC1
InChIInChI=1S/C13H24N2/c1-3-5-6-13(4-2)7-10-15-11-8-14-9-12-15/h3,5-6,14H,4,7-12H2,1-2H3/b5-3-,13-6+
InChIKeyITFFIXXPYCXYHG-ZPOUSACNSA-N
XLogP2.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.19
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

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CID 70026988
1-[(Z)-2-(2-piperidin-1-ylethyl)but-2-enyl]piperazine
CID 70026882
1-[(Z)-2-(2-pyrrolidin-1-ylethyl)but-2-enyl]imidazolidine
CID 70025049
(1E,3E)-1-iodo-4-(piperazin-1-ylmethyl)hexa-1,3-dien-1-amine
CID 134406327
(2Z,4E)-N-methyl-2-(piperazin-1-ylmethyl)hexa-2,4-dien-1-imine
CID 145197990
1-[2-(piperazin-1-ylmethyl)but-2-enyl]piperazine
CID 18547144
ethyl 3-[7-(3-ethoxy-3-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate
CID 132559455
1-[(E)-2-ethylhex-2-enyl]piperazine
CID 20521851
ethane;1-[2-[(2Z,4E,7E,9Z)-5-ethenyl-7-[(Z)-prop-1-enyl]undeca-2,4,7,9-tetraen-6-yl]sulfanylethyl]piperazine
CID 144698876
hydron;1-propylpiperazine;dibromide
CID 91980567
4-methylpenta-1,3-diene;1-propylpiperazine
CID 142068164
3-(1,4,7,10,13-pentazacyclopentadec-1-yl)propanoic acid
CID 21338288

Frequently Asked Questions

What is the IUPAC name of 1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine?
The IUPAC name of 1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine (CID 129043366) is 1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine.
What is the SMILES notation for 1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine?
The canonical SMILES for 1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine is C/C=C\C=C(/CC)CCN1CCNCC1.
What is the InChIKey of 1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine?
The InChIKey is ITFFIXXPYCXYHG-ZPOUSACNSA-N. The full InChI is InChI=1S/C13H24N2/c1-3-5-6-13(4-2)7-10-15-11-8-14-9-12-15/h3,5-6,14H,4,7-12H2,1-2H3/b5-3-,13-6+.
What are the key properties of 1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine?
1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine has a molecular weight of 208.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E,5Z)-3-ethylhepta-3,5-dienyl]piperazine is sourced from PubChem (CID 129043366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).