1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine

C14H24N2O — CID 143999017

IUPAC1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
SMILESC=C(/C=C\C(=C/C)CN1CCN(C)CC1)OC
InChIInChI=1S/C14H24N2O/c1-5-14(7-6-13(2)17-4)12-16-10-8-15(3)9-11-16/h5-7H,2,8-12H2,1,3-4H3/b7-6-,14-5+
InChIKeyWVOOHRACIQVLGK-WFRORPSUSA-N
MW236.36 g/mol
LogP1.90
Rot. Bonds5

About 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine

1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine (PubChem CID 143999017) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
PubChem CID143999017
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
SMILESC=C(/C=C\C(=C/C)CN1CCN(C)CC1)OC
InChIInChI=1S/C14H24N2O/c1-5-14(7-6-13(2)17-4)12-16-10-8-15(3)9-11-16/h5-7H,2,8-12H2,1,3-4H3/b7-6-,14-5+
InChIKeyWVOOHRACIQVLGK-WFRORPSUSA-N
XLogP1.90
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.90
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-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine?
The IUPAC name of 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine (CID 143999017) is 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine is C=C(/C=C\C(=C/C)CN1CCN(C)CC1)OC.
What is the InChIKey of 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine?
The InChIKey is WVOOHRACIQVLGK-WFRORPSUSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-14(7-6-13(2)17-4)12-16-10-8-15(3)9-11-16/h5-7H,2,8-12H2,1,3-4H3/b7-6-,14-5+.
What are the key properties of 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine?
1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine has a molecular weight of 236.36 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine is sourced from PubChem (CID 143999017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).