1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine

C13H24N2O — CID 155301882

IUPAC1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine
SMILESCC/C=C(\C=C/CN1CCN(C)CC1)OC
InChIInChI=1S/C13H24N2O/c1-4-6-13(16-3)7-5-8-15-11-9-14(2)10-12-15/h5-7H,4,8-12H2,1-3H3/b7-5-,13-6+
InChIKeyFFYIJGHKQMXSPO-IILXRZLBSA-N
MW224.35 g/mol
LogP1.73
Rot. Bonds5

About 1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine

1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine (PubChem CID 155301882) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine
PubChem CID155301882
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine
SMILESCC/C=C(\C=C/CN1CCN(C)CC1)OC
InChIInChI=1S/C13H24N2O/c1-4-6-13(16-3)7-5-8-15-11-9-14(2)10-12-15/h5-7H,4,8-12H2,1-3H3/b7-5-,13-6+
InChIKeyFFYIJGHKQMXSPO-IILXRZLBSA-N
XLogP1.73
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine?
The IUPAC name of 1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine (CID 155301882) is 1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine is CC/C=C(\C=C/CN1CCN(C)CC1)OC.
What is the InChIKey of 1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine?
The InChIKey is FFYIJGHKQMXSPO-IILXRZLBSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-6-13(16-3)7-5-8-15-11-9-14(2)10-12-15/h5-7H,4,8-12H2,1-3H3/b7-5-,13-6+.
What are the key properties of 1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine?
1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine has a molecular weight of 224.35 g/mol, XLogP of 1.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z,4E)-4-methoxyhepta-2,4-dienyl]-4-methylpiperazine is sourced from PubChem (CID 155301882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).