1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine

C12H20N2 — CID 123499743

IUPAC1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine
SMILESC=CC=C(C=C)CN1CCN(C)CC1
InChIInChI=1S/C12H20N2/c1-4-6-12(5-2)11-14-9-7-13(3)8-10-14/h4-6H,1-2,7-11H2,3H3
InChIKeyPWQWUVWLRQTEMR-UHFFFAOYSA-N
MW192.31 g/mol
LogP1.53
Rot. Bonds4

About 1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine

1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine (PubChem CID 123499743) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine
PubChem CID123499743
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine
SMILESC=CC=C(C=C)CN1CCN(C)CC1
InChIInChI=1S/C12H20N2/c1-4-6-12(5-2)11-14-9-7-13(3)8-10-14/h4-6H,1-2,7-11H2,3H3
InChIKeyPWQWUVWLRQTEMR-UHFFFAOYSA-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'}

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Related Compounds

1-(2-ethenylbut-2-enyl)-4-methylpiperazine
CID 123509930
(3E,5E)-6-[(4-methylpiperazin-1-yl)methyl]octa-3,5,7-trien-2-one
CID 143710844
1-(4-methylpiperazin-1-yl)but-3-en-2-one
CID 162736650
3-[[4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazin-1-yl]methyl]benzene-1,2-diol
CID 143368417
1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine
CID 143176220
2-[1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-yl]acetamide
CID 142018553
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine
CID 143368421
(4E)-8-(4-methylpiperazin-1-yl)-4-prop-2-enylideneoct-1-en-3-one
CID 88915065
ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
CID 166529175
1-[(4Z)-4-ethenylhepta-4,6-dienyl]-4-(2-ethoxyethyl)piperazine
CID 177020946
(2S)-2-amino-1-[4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazin-1-yl]-3-phenylpropan-1-one;ethane
CID 143444439
1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane
CID 123462135

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine?
The IUPAC name of 1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine (CID 123499743) is 1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine is C=CC=C(C=C)CN1CCN(C)CC1.
What is the InChIKey of 1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine?
The InChIKey is PWQWUVWLRQTEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-6-12(5-2)11-14-9-7-13(3)8-10-14/h4-6H,1-2,7-11H2,3H3.
What are the key properties of 1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine?
1-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine 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-(2-ethenylpenta-2,4-dienyl)-4-methylpiperazine is sourced from PubChem (CID 123499743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).