1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine

C14H24N2 — CID 167002240

IUPAC1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine
SMILESC=C/C=C\C(=C/C)CN1CCN(CC)CC1
InChIInChI=1S/C14H24N2/c1-4-7-8-14(5-2)13-16-11-9-15(6-3)10-12-16/h4-5,7-8H,1,6,9-13H2,2-3H3/b8-7-,14-5+
InChIKeyMABCHDLPHNAAOH-KDDHRZGXSA-N
MW220.36 g/mol
LogP2.31
Rot. Bonds5

About 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine

1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine (PubChem CID 167002240) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine
PubChem CID167002240
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine
SMILESC=C/C=C\C(=C/C)CN1CCN(CC)CC1
InChIInChI=1S/C14H24N2/c1-4-7-8-14(5-2)13-16-11-9-15(6-3)10-12-16/h4-5,7-8H,1,6,9-13H2,2-3H3/b8-7-,14-5+
InChIKeyMABCHDLPHNAAOH-KDDHRZGXSA-N
XLogP2.31
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.31
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-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine?
The IUPAC name of 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine (CID 167002240) is 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine is C=C/C=C\C(=C/C)CN1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine?
The InChIKey is MABCHDLPHNAAOH-KDDHRZGXSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-7-8-14(5-2)13-16-11-9-15(6-3)10-12-16/h4-5,7-8H,1,6,9-13H2,2-3H3/b8-7-,14-5+.
What are the key properties of 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine?
1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine has a molecular weight of 220.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine is sourced from PubChem (CID 167002240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).