1-hexa-2,4-dien-3-yl-4-methylpiperazine

C11H20N2 — CID 123419528

IUPAC1-hexa-2,4-dien-3-yl-4-methylpiperazine
SMILESCC=CC(=CC)N1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-4-6-11(5-2)13-9-7-12(3)8-10-13/h4-6H,7-10H2,1-3H3
InChIKeyRDONDKHNLXSPES-UHFFFAOYSA-N
MW180.29 g/mol
LogP1.71
Rot. Bonds2

About 1-hexa-2,4-dien-3-yl-4-methylpiperazine

1-hexa-2,4-dien-3-yl-4-methylpiperazine (PubChem CID 123419528) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 1-hexa-2,4-dien-3-yl-4-methylpiperazine.

Molecular Properties

Compound Name1-hexa-2,4-dien-3-yl-4-methylpiperazine
PubChem CID123419528
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name1-hexa-2,4-dien-3-yl-4-methylpiperazine
SMILESCC=CC(=CC)N1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-4-6-11(5-2)13-9-7-12(3)8-10-13/h4-6H,7-10H2,1-3H3
InChIKeyRDONDKHNLXSPES-UHFFFAOYSA-N
XLogP1.71
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 51.71
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

6-ethenyl-1-methyl-2H-pyridine
CID 22719088
1-[(1E,3E,5Z)-4-fluorohepta-1,3,5-trienyl]-4-methylpiperazine
CID 122521314
1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-methylpiperazine
CID 141819086
1-(4-Fluorocyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 142099582
N'-[(3E)-3-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142099602
1-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
1-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]-4-methylpiperazine
CID 144995646
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 145468344
1-(5-fluoro-1-methyl-2H-pyridin-3-yl)-4-methylpiperazine
CID 156424085
1-[(3E)-2-fluoropenta-1,3-dien-3-yl]-4-methylpiperazine
CID 157906708
1-[(3E)-3-fluoropenta-1,3-dien-2-yl]-4-propan-2-ylpiperazine
CID 171622131
1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine
CID 174194314

Frequently Asked Questions

What is the IUPAC name of 1-hexa-2,4-dien-3-yl-4-methylpiperazine?
The IUPAC name of 1-hexa-2,4-dien-3-yl-4-methylpiperazine (CID 123419528) is 1-hexa-2,4-dien-3-yl-4-methylpiperazine.
What is the SMILES notation for 1-hexa-2,4-dien-3-yl-4-methylpiperazine?
The canonical SMILES for 1-hexa-2,4-dien-3-yl-4-methylpiperazine is CC=CC(=CC)N1CCN(C)CC1.
What is the InChIKey of 1-hexa-2,4-dien-3-yl-4-methylpiperazine?
The InChIKey is RDONDKHNLXSPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-6-11(5-2)13-9-7-12(3)8-10-13/h4-6H,7-10H2,1-3H3.
What are the key properties of 1-hexa-2,4-dien-3-yl-4-methylpiperazine?
1-hexa-2,4-dien-3-yl-4-methylpiperazine has a molecular weight of 180.29 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexa-2,4-dien-3-yl-4-methylpiperazine is sourced from PubChem (CID 123419528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).