acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine

C13H22N2O — CID 144654113

IUPACacetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine
SMILESC#C.C/C=C\C(OC)=C(/C)N1CCNCC1
InChIInChI=1S/C11H20N2O.C2H2/c1-4-5-11(14-3)10(2)13-8-6-12-7-9-13;1-2/h4-5,12H,6-9H2,1-3H3;1-2H/b5-4-,11-10-;
InChIKeyGIUBAAQPXPORLA-ACEVCOKLSA-N
MW222.33 g/mol
LogP1.60
Rot. Bonds3

About acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine

acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine (PubChem CID 144654113) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine.

Molecular Properties

Compound Nameacetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine
PubChem CID144654113
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Nameacetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine
SMILESC#C.C/C=C\C(OC)=C(/C)N1CCNCC1
InChIInChI=1S/C11H20N2O.C2H2/c1-4-5-11(14-3)10(2)13-8-6-12-7-9-13;1-2/h4-5,12H,6-9H2,1-3H3;1-2H/b5-4-,11-10-;
InChIKeyGIUBAAQPXPORLA-ACEVCOKLSA-N
XLogP1.60
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.60
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2H-pyran-5-yl)piperazine
CID 22461532
1-methylpiperazine;2H-pyran-4-amine
CID 68550599
N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 123324320
1-(4-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 123867482
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-[(2Z,4Z)-2-methoxyhepta-2,4-dien-6-yn-3-yl]piperazine
CID 141791660
1-[(2E,4Z,6E)-6-methoxyocta-2,4,6-trien-3-yl]piperazine
CID 142202925
1-[(2E,5E)-6-methoxyocta-2,5,7-trien-2-yl]piperazine
CID 142202931
1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine
CID 142202937
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]piperazine
CID 142202942

Frequently Asked Questions

What is the IUPAC name of acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine?
The IUPAC name of acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine (CID 144654113) is acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine.
What is the SMILES notation for acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine?
The canonical SMILES for acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine is C#C.C/C=C\C(OC)=C(/C)N1CCNCC1.
What is the InChIKey of acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine?
The InChIKey is GIUBAAQPXPORLA-ACEVCOKLSA-N. The full InChI is InChI=1S/C11H20N2O.C2H2/c1-4-5-11(14-3)10(2)13-8-6-12-7-9-13;1-2/h4-5,12H,6-9H2,1-3H3;1-2H/b5-4-,11-10-;.
What are the key properties of acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine?
acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine has a molecular weight of 222.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]piperazine is sourced from PubChem (CID 144654113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).