1-(4-methoxyhexa-2,4-dien-3-yl)piperazine

C11H20N2O — CID 123867482

IUPAC1-(4-methoxyhexa-2,4-dien-3-yl)piperazine
SMILESCC=C(OC)C(=CC)N1CCNCC1
InChIInChI=1S/C11H20N2O/c1-4-10(11(5-2)14-3)13-8-6-12-7-9-13/h4-5,12H,6-9H2,1-3H3
InChIKeyFVGZZMLDVNYPJD-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.35
Rot. Bonds3

About 1-(4-methoxyhexa-2,4-dien-3-yl)piperazine

1-(4-methoxyhexa-2,4-dien-3-yl)piperazine (PubChem CID 123867482) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(4-methoxyhexa-2,4-dien-3-yl)piperazine.

Molecular Properties

Compound Name1-(4-methoxyhexa-2,4-dien-3-yl)piperazine
PubChem CID123867482
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(4-methoxyhexa-2,4-dien-3-yl)piperazine
SMILESCC=C(OC)C(=CC)N1CCNCC1
InChIInChI=1S/C11H20N2O/c1-4-10(11(5-2)14-3)13-8-6-12-7-9-13/h4-5,12H,6-9H2,1-3H3
InChIKeyFVGZZMLDVNYPJD-UHFFFAOYSA-N
XLogP1.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.35
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

4-N,5-N-dipropyl-2H-pyran-4,5-diamine
CID 23374279
3-N,4-N,5-N-tripropyl-2H-pyran-3,4,5-triamine
CID 23374280
1-methylpiperazine;2H-pyran-4-amine
CID 68550599
(1E,3E)-1,5-dimethoxy-4-N-propylhexa-1,3,5-triene-1,4-diamine
CID 89205482
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-(3-Methoxybuta-1,3-dien-2-yl)piperazine
CID 123967641
1-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazine
CID 123992968
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-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128655
1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]piperazine
CID 142202925

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyhexa-2,4-dien-3-yl)piperazine?
The IUPAC name of 1-(4-methoxyhexa-2,4-dien-3-yl)piperazine (CID 123867482) is 1-(4-methoxyhexa-2,4-dien-3-yl)piperazine.
What is the SMILES notation for 1-(4-methoxyhexa-2,4-dien-3-yl)piperazine?
The canonical SMILES for 1-(4-methoxyhexa-2,4-dien-3-yl)piperazine is CC=C(OC)C(=CC)N1CCNCC1.
What is the InChIKey of 1-(4-methoxyhexa-2,4-dien-3-yl)piperazine?
The InChIKey is FVGZZMLDVNYPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-10(11(5-2)14-3)13-8-6-12-7-9-13/h4-5,12H,6-9H2,1-3H3.
What are the key properties of 1-(4-methoxyhexa-2,4-dien-3-yl)piperazine?
1-(4-methoxyhexa-2,4-dien-3-yl)piperazine has a molecular weight of 196.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyhexa-2,4-dien-3-yl)piperazine is sourced from PubChem (CID 123867482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).