1-ethyl-4-hexa-2,4-dien-2-ylpiperazine

C12H22N2 — CID 123379797

IUPAC1-ethyl-4-hexa-2,4-dien-2-ylpiperazine
SMILESCC=CC=C(C)N1CCN(CC)CC1
InChIInChI=1S/C12H22N2/c1-4-6-7-12(3)14-10-8-13(5-2)9-11-14/h4,6-7H,5,8-11H2,1-3H3
InChIKeyOFGOSNXYIMKBEX-UHFFFAOYSA-N
MW194.32 g/mol
LogP2.10
Rot. Bonds3

About 1-ethyl-4-hexa-2,4-dien-2-ylpiperazine

1-ethyl-4-hexa-2,4-dien-2-ylpiperazine (PubChem CID 123379797) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1-ethyl-4-hexa-2,4-dien-2-ylpiperazine.

Molecular Properties

Compound Name1-ethyl-4-hexa-2,4-dien-2-ylpiperazine
PubChem CID123379797
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1-ethyl-4-hexa-2,4-dien-2-ylpiperazine
SMILESCC=CC=C(C)N1CCN(CC)CC1
InChIInChI=1S/C12H22N2/c1-4-6-7-12(3)14-10-8-13(5-2)9-11-14/h4,6-7H,5,8-11H2,1-3H3
InChIKeyOFGOSNXYIMKBEX-UHFFFAOYSA-N
XLogP2.10
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.10
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

1,4-Dipropenylpiperazine
CID 134821216
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
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
N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143287780

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hexa-2,4-dien-2-ylpiperazine?
The IUPAC name of 1-ethyl-4-hexa-2,4-dien-2-ylpiperazine (CID 123379797) is 1-ethyl-4-hexa-2,4-dien-2-ylpiperazine.
What is the SMILES notation for 1-ethyl-4-hexa-2,4-dien-2-ylpiperazine?
The canonical SMILES for 1-ethyl-4-hexa-2,4-dien-2-ylpiperazine is CC=CC=C(C)N1CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-hexa-2,4-dien-2-ylpiperazine?
The InChIKey is OFGOSNXYIMKBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-6-7-12(3)14-10-8-13(5-2)9-11-14/h4,6-7H,5,8-11H2,1-3H3.
What are the key properties of 1-ethyl-4-hexa-2,4-dien-2-ylpiperazine?
1-ethyl-4-hexa-2,4-dien-2-ylpiperazine has a molecular weight of 194.32 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hexa-2,4-dien-2-ylpiperazine is sourced from PubChem (CID 123379797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).