1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine

C13H22N2 — CID 167290609

IUPAC1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine
SMILESC=C/C(=C\C=C/C)N1CCN(CC)CC1
InChIInChI=1S/C13H22N2/c1-4-7-8-13(5-2)15-11-9-14(6-3)10-12-15/h4-5,7-8H,2,6,9-12H2,1,3H3/b7-4-,13-8+
InChIKeyOQSNSTRQYWLMTE-PZADHXCOSA-N
MW206.33 g/mol
LogP2.27
Rot. Bonds4

About 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine

1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine (PubChem CID 167290609) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine
PubChem CID167290609
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine
SMILESC=C/C(=C\C=C/C)N1CCN(CC)CC1
InChIInChI=1S/C13H22N2/c1-4-7-8-13(5-2)15-11-9-14(6-3)10-12-15/h4-5,7-8H,2,6,9-12H2,1,3H3/b7-4-,13-8+
InChIKeyOQSNSTRQYWLMTE-PZADHXCOSA-N
XLogP2.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine?
The IUPAC name of 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine (CID 167290609) is 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine is C=C/C(=C\C=C/C)N1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine?
The InChIKey is OQSNSTRQYWLMTE-PZADHXCOSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-7-8-13(5-2)15-11-9-14(6-3)10-12-15/h4-5,7-8H,2,6,9-12H2,1,3H3/b7-4-,13-8+.
What are the key properties of 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine?
1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine has a molecular weight of 206.33 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3E,5Z)-hepta-1,3,5-trien-3-yl]piperazine is sourced from PubChem (CID 167290609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).