1-(2-ethenylbut-2-enyl)-4-methylpiperazine

C11H20N2 — CID 123509930

IUPAC1-(2-ethenylbut-2-enyl)-4-methylpiperazine
SMILESC=CC(=CC)CN1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-4-11(5-2)10-13-8-6-12(3)7-9-13/h4-5H,1,6-10H2,2-3H3
InChIKeyQERGQRPVAJAZBP-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.37
Rot. Bonds3

About 1-(2-ethenylbut-2-enyl)-4-methylpiperazine

1-(2-ethenylbut-2-enyl)-4-methylpiperazine (PubChem CID 123509930) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-(2-ethenylbut-2-enyl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(2-ethenylbut-2-enyl)-4-methylpiperazine
PubChem CID123509930
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-(2-ethenylbut-2-enyl)-4-methylpiperazine
SMILESC=CC(=CC)CN1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-4-11(5-2)10-13-8-6-12(3)7-9-13/h4-5H,1,6-10H2,2-3H3
InChIKeyQERGQRPVAJAZBP-UHFFFAOYSA-N
XLogP1.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.37
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-ethenylpenta-2,4-dienyl)-4-methylpiperazine
CID 123499743
1-(4-methylpiperazin-1-yl)but-3-en-2-one
CID 162736650
ethane;ethene;1-[(E)-2-ethenylbut-2-enyl]-4-methylpiperidine
CID 143302699
(3E,5E)-6-[(4-methylpiperazin-1-yl)methyl]octa-3,5,7-trien-2-one
CID 143710844
1-(2-ethylidenepent-3-enyl)-4-methyl-1,4-diazepane
CID 123462135
1-(4-ethyl-2-methylhexa-2,4-dienyl)-4-methylpiperazine
CID 123789556
1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol
CID 145044372
1-[(E)-2-ethenylbut-2-enyl]-3-methylpiperidine
CID 144825282
1-methyl-4-[(3Z)-2-methylidenehexa-3,5-dienyl]piperazine
CID 143176220
1-ethyl-4-[(2E,3Z)-2-ethylidenehexa-3,5-dienyl]piperazine
CID 167002240
1-methyl-4-[(2Z)-2-methyl-6-methylideneocta-2,7-dienyl]piperazine
CID 146877130
ethane;1-[(2E,4Z)-2-ethenylhexa-2,4-dienyl]piperidine
CID 166529175

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylbut-2-enyl)-4-methylpiperazine?
The IUPAC name of 1-(2-ethenylbut-2-enyl)-4-methylpiperazine (CID 123509930) is 1-(2-ethenylbut-2-enyl)-4-methylpiperazine.
What is the SMILES notation for 1-(2-ethenylbut-2-enyl)-4-methylpiperazine?
The canonical SMILES for 1-(2-ethenylbut-2-enyl)-4-methylpiperazine is C=CC(=CC)CN1CCN(C)CC1.
What is the InChIKey of 1-(2-ethenylbut-2-enyl)-4-methylpiperazine?
The InChIKey is QERGQRPVAJAZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-11(5-2)10-13-8-6-12(3)7-9-13/h4-5H,1,6-10H2,2-3H3.
What are the key properties of 1-(2-ethenylbut-2-enyl)-4-methylpiperazine?
1-(2-ethenylbut-2-enyl)-4-methylpiperazine has a molecular weight of 180.29 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylbut-2-enyl)-4-methylpiperazine is sourced from PubChem (CID 123509930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).