4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine

C13H22N2 — CID 145160547

IUPAC4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine
SMILESC=C/C=C(\C=C)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C13H22N2/c1-6-8-12(7-2)15-10-9-14(5)13(3,4)11-15/h6-8H,1-2,9-11H2,3-5H3/b12-8+
InChIKeyYHAMACCGLKJPDX-XYOKQWHBSA-N
MW206.33 g/mol
LogP2.27
Rot. Bonds3

About 4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine

4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine (PubChem CID 145160547) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine.

Molecular Properties

Compound Name4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine
PubChem CID145160547
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine
SMILESC=C/C=C(\C=C)N1CCN(C)C(C)(C)C1
InChIInChI=1S/C13H22N2/c1-6-8-12(7-2)15-10-9-14(5)13(3,4)11-15/h6-8H,1-2,9-11H2,3-5H3/b12-8+
InChIKeyYHAMACCGLKJPDX-XYOKQWHBSA-N
XLogP2.27
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.27
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-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 143054402
4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-7-propan-2-yl-4,7-diazaspiro[2.5]octane
CID 144662372
1-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-4-methylpiperazine
CID 174194314
2-ethyl-4-[(3E,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-prop-1-en-2-ylpiperazine
CID 174194797
2-ethyl-4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]-1-methylpiperazine
CID 144656760
1-methyl-6-(1-methyl-2H-pyridin-6-yl)-2H-pyridine
CID 20511065
8-(4-methylpiperazin-1-yl)-4H-quinolizine
CID 54192911
1-methyl-4-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperazine
CID 58337005
Carbanide;1-methyl-4-phenylpiperazine;yttrium
CID 58870665
4-Tert-butyl-1-methyl-2-methylidenepiperazine
CID 66767364
N,N-dichloro-2-methyl-1-(1-methyl-2H-pyridin-1-ium-1-yl)propan-2-amine chloride
CID 87501499
1-ethyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]piperazine
CID 88909240

Frequently Asked Questions

What is the IUPAC name of 4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine?
The IUPAC name of 4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine (CID 145160547) is 4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine.
What is the SMILES notation for 4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine?
The canonical SMILES for 4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine is C=C/C=C(\C=C)N1CCN(C)C(C)(C)C1.
What is the InChIKey of 4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine?
The InChIKey is YHAMACCGLKJPDX-XYOKQWHBSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-8-12(7-2)15-10-9-14(5)13(3,4)11-15/h6-8H,1-2,9-11H2,3-5H3/b12-8+.
What are the key properties of 4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine?
4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine has a molecular weight of 206.33 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3E)-hexa-1,3,5-trien-3-yl]-1,2,2-trimethylpiperazine is sourced from PubChem (CID 145160547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).