1-(5-methoxyhexa-2,4-dien-3-yl)piperazine

C11H20N2O — CID 91072400

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

About 1-(5-methoxyhexa-2,4-dien-3-yl)piperazine

1-(5-methoxyhexa-2,4-dien-3-yl)piperazine (PubChem CID 91072400) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(5-methoxyhexa-2,4-dien-3-yl)piperazine.

Molecular Properties

Compound Name1-(5-methoxyhexa-2,4-dien-3-yl)piperazine
PubChem CID91072400
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(5-methoxyhexa-2,4-dien-3-yl)piperazine
SMILESCC=C(C=C(C)OC)N1CCNCC1
InChIInChI=1S/C11H20N2O/c1-4-11(9-10(2)14-3)13-7-5-12-6-8-13/h4,9,12H,5-8H2,1-3H3
InChIKeyUCOLCLQJZDAHFW-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

1-[2-(Difluoromethoxy)-4-fluorohexa-2,4-dien-3-yl]piperazine
CID 90729357
1-[(3Z,5E)-2,4-difluoro-6-(2-methoxyethoxy)hepta-1,3,5-trien-3-yl]piperazine
CID 144995647
1-methylpiperazine;2H-pyran-4-amine
CID 68550599
1-(5-Methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
CID 123507334
1-(3-Methoxybut-2-en-2-yl)piperazine
CID 123780850
1-(4-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 123867482
1-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazine
CID 123992968
(3S,5R)-1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-4-yl]piperidine-3,5-diamine
CID 129310447
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-[(Z)-3-methoxybut-2-en-2-yl]piperazine
CID 142005792
1-(4-Methoxycyclohepta-1,3,6-trien-1-yl)piperazine
CID 142202921

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxyhexa-2,4-dien-3-yl)piperazine?
The IUPAC name of 1-(5-methoxyhexa-2,4-dien-3-yl)piperazine (CID 91072400) is 1-(5-methoxyhexa-2,4-dien-3-yl)piperazine.
What is the SMILES notation for 1-(5-methoxyhexa-2,4-dien-3-yl)piperazine?
The canonical SMILES for 1-(5-methoxyhexa-2,4-dien-3-yl)piperazine is CC=C(C=C(C)OC)N1CCNCC1.
What is the InChIKey of 1-(5-methoxyhexa-2,4-dien-3-yl)piperazine?
The InChIKey is UCOLCLQJZDAHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-4-11(9-10(2)14-3)13-7-5-12-6-8-13/h4,9,12H,5-8H2,1-3H3.
What are the key properties of 1-(5-methoxyhexa-2,4-dien-3-yl)piperazine?
1-(5-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-(5-methoxyhexa-2,4-dien-3-yl)piperazine is sourced from PubChem (CID 91072400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).