1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine

C12H20N2 — CID 143176220

IUPAC1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine
SMILESC=C/C=C\C(=C)CN1CCN(C)CC1
InChIInChI=1S/C12H20N2/c1-4-5-6-12(2)11-14-9-7-13(3)8-10-14/h4-6H,1-2,7-11H2,3H3/b6-5-
InChIKeyLSZGRLCWYOTVDK-WAYWQWQTSA-N
MW192.31 g/mol
LogP1.53
Rot. Bonds4

About 1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine

1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine (PubChem CID 143176220) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine.

Molecular Properties

Compound Name1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine
PubChem CID143176220
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine
SMILESC=C/C=C\C(=C)CN1CCN(C)CC1
InChIInChI=1S/C12H20N2/c1-4-5-6-12(2)11-14-9-7-13(3)8-10-14/h4-6H,1-2,7-11H2,3H3/b6-5-
InChIKeyLSZGRLCWYOTVDK-WAYWQWQTSA-N
XLogP1.53
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-methylpiperazin-1-yl)but-3-en-2-one
CID 162736650
1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
CID 146877130
1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine
CID 123499743
1-(2-ethenylbut-2-enyl)-4-methylpiperazine
CID 123509930
1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine
CID 167002240
(3E,5E)-6-[(4-methylpiperazin-1-yl)methyl]octa-3,5,7-trien-2-one
CID 143710844
1-(2-buta-1,3-dienoxyethyl)-4-methylpiperazine
CID 91548753
(3Z,8Z)-5,7-dimethylideneundeca-1,3,8,10-tetraene
CID 143096583
(2Z)-N-[2-(4-methylpiperazin-1-yl)ethyl]penta-2,4-dien-1-imine
CID 129043221
1-[(4E)-5,6-dichloro-3-methylidenehepta-4,6-dienyl]-4-methylpiperazine
CID 144697900
1-but-3-enyl-4-methylpiperazine
CID 20649684
(3Z)-7-methyl-5-methylideneocta-1,3,7-triene
CID 142221683

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine?
The IUPAC name of 1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine (CID 143176220) is 1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine.
What is the SMILES notation for 1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine?
The canonical SMILES for 1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine is C=C/C=C\C(=C)CN1CCN(C)CC1.
What is the InChIKey of 1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine?
The InChIKey is LSZGRLCWYOTVDK-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-5-6-12(2)11-14-9-7-13(3)8-10-14/h4-6H,1-2,7-11H2,3H3/b6-5-.
What are the key properties of 1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine?
1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine has a molecular weight of 192.31 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine is sourced from PubChem (CID 143176220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).