1-(2-ethenylhexa-2,4-dienyl)piperazine

C12H20N2 — CID 123686273

IUPAC1-(2-ethenylhexa-2,4-dienyl)piperazine
SMILESC=CC(=CC=CC)CN1CCNCC1
InChIInChI=1S/C12H20N2/c1-3-5-6-12(4-2)11-14-9-7-13-8-10-14/h3-6,13H,2,7-11H2,1H3
InChIKeyASRDWEKDQZYNIE-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.58
Rot. Bonds4

About 1-(2-ethenylhexa-2,4-dienyl)piperazine

1-(2-ethenylhexa-2,4-dienyl)piperazine (PubChem CID 123686273) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(2-ethenylhexa-2,4-dienyl)piperazine.

Molecular Properties

Compound Name1-(2-ethenylhexa-2,4-dienyl)piperazine
PubChem CID123686273
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(2-ethenylhexa-2,4-dienyl)piperazine
SMILESC=CC(=CC=CC)CN1CCNCC1
InChIInChI=1S/C12H20N2/c1-3-5-6-12(4-2)11-14-9-7-13-8-10-14/h3-6,13H,2,7-11H2,1H3
InChIKeyASRDWEKDQZYNIE-UHFFFAOYSA-N
XLogP1.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2Z)-2-ethenyl-5-methyl-3-(trifluoromethyl)hexa-2,4-dienyl]-3-methylpiperazine
CID 88878018
N-[(2Z,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]-N',N'-dimethylethane-1,2-diamine
CID 129136227
(3S)-1-[(2Z,4Z)-3-fluoro-2-methylhepta-2,4,6-trienyl]-3-methylpiperazine
CID 142262364
(2S,5R)-1-[(2E,3Z)-2-ethylidene-5-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
CID 142871687
1-[(3E,5Z)-2-methylidene-3-(trifluoromethyl)hepta-3,5-dienyl]piperazine
CID 144888887
N-[(2Z)-2-(1-fluoroethenyl)penta-2,4-dienyl]-N',N'-dimethylethane-1,2-diamine
CID 171513401
(2R)-1-[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]-2,5-dimethylpiperazine
CID 142239786
N-ethyl-N'-[(2E,4E,6Z)-8-fluoro-2,4-dimethylocta-2,4,6-trienyl]-N'-methylethane-1,2-diamine
CID 142864023
1-(3-Methyl-but-2-enyl)-piperazine
CID 10441904
1-[(E)-2-ethylhex-2-enyl]piperazine
CID 20521851
1-[(E)-2-methylpent-2-enyl]piperazine
CID 20521854
1-[(Z)-2-ethylbut-2-enyl]piperazine
CID 22628661

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylhexa-2,4-dienyl)piperazine?
The IUPAC name of 1-(2-ethenylhexa-2,4-dienyl)piperazine (CID 123686273) is 1-(2-ethenylhexa-2,4-dienyl)piperazine.
What is the SMILES notation for 1-(2-ethenylhexa-2,4-dienyl)piperazine?
The canonical SMILES for 1-(2-ethenylhexa-2,4-dienyl)piperazine is C=CC(=CC=CC)CN1CCNCC1.
What is the InChIKey of 1-(2-ethenylhexa-2,4-dienyl)piperazine?
The InChIKey is ASRDWEKDQZYNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-5-6-12(4-2)11-14-9-7-13-8-10-14/h3-6,13H,2,7-11H2,1H3.
What are the key properties of 1-(2-ethenylhexa-2,4-dienyl)piperazine?
1-(2-ethenylhexa-2,4-dienyl)piperazine has a molecular weight of 192.31 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylhexa-2,4-dienyl)piperazine is sourced from PubChem (CID 123686273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).