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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Related Compounds

(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
CID 54571566
1-[(2Z,4Z)-3,4,5-trimethoxyocta-2,4,7-trienyl]piperazine
CID 89973152
(3E,5Z)-N-[(E)-but-2-enyl]-5,6-dimethoxy-N-methylhepta-3,5-dien-1-amine
CID 122649699
3-Methoxycyclohepta-1,3,5-triene;1-methylpiperazine
CID 141775181
1-(5-Methoxycyclohepta-1,4,6-trien-1-yl)-4-methylpiperazine
CID 141952227
1-[(3Z,5E)-5-methoxy-2-methylocta-3,5,7-trienyl]piperazine
CID 142202958
But-1-ene;1-(3-methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
CID 142256401
1-(3-Methoxycyclohexa-2,4-dien-1-yl)-4-propylpiperazine
CID 142256402
1-[(5,6-Dimethoxycyclohepta-1,3,4,6-tetraen-1-yl)methyl]-4-methylpiperazine
CID 142272175
ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
CID 143999016
1-Butyl-4-methylpiperazine;ethane;3-methoxy-7-methylcyclohepta-1,3,5-triene
CID 156867763
Carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)
CID 163783016

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).