1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine

C11H18N2O — CID 123992968

IUPAC1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine
SMILESC=CC(=CC(=C)OC)N1CCNCC1
InChIInChI=1S/C11H18N2O/c1-4-11(9-10(2)14-3)13-7-5-12-6-8-13/h4,9,12H,1-2,5-8H2,3H3
InChIKeyVZXRLZQJGHVEPK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.12
Rot. Bonds4

About 1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine

1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine (PubChem CID 123992968) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine.

Molecular Properties

Compound Name1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine
PubChem CID123992968
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine
SMILESC=CC(=CC(=C)OC)N1CCNCC1
InChIInChI=1S/C11H18N2O/c1-4-11(9-10(2)14-3)13-7-5-12-6-8-13/h4,9,12H,1-2,5-8H2,3H3
InChIKeyVZXRLZQJGHVEPK-UHFFFAOYSA-N
XLogP1.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(3Z)-5-(trifluoromethoxy)hexa-1,3,5-trien-2-yl]piperazine
CID 145096196
(2Z,4Z)-6-(difluoromethoxy)-2-N-[2-(dimethylamino)ethyl]-2-N,3-N-dimethylhepta-2,4,6-triene-2,3-diamine
CID 146561503
1-[(2E,4Z)-6-(trifluoromethoxy)hepta-2,4,6-trien-3-yl]piperazine
CID 155274268
1-(2H-pyran-5-yl)piperazine
CID 22461532
1-methylpiperazine;2H-pyran-4-amine
CID 68550599
1-(5-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 91072400
N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 123324320
1-(1-Methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
CID 123502190
1-(4-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 123867482
N'-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 129055643
1-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperazine
CID 141788352
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106516

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine?
The IUPAC name of 1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine (CID 123992968) is 1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine.
What is the SMILES notation for 1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine?
The canonical SMILES for 1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine is C=CC(=CC(=C)OC)N1CCNCC1.
What is the InChIKey of 1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine?
The InChIKey is VZXRLZQJGHVEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-11(9-10(2)14-3)13-7-5-12-6-8-13/h4,9,12H,1-2,5-8H2,3H3.
What are the key properties of 1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine?
1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine has a molecular weight of 194.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxyhexa-1,3,5-trien-3-yl)piperazine is sourced from PubChem (CID 123992968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).