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

C12H22N2O — CID 123507334

IUPAC1-(5-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
SMILESCC=C(C=C(C)OC)N1CCN(C)CC1
InChIInChI=1S/C12H22N2O/c1-5-12(10-11(2)15-4)14-8-6-13(3)7-9-14/h5,10H,6-9H2,1-4H3
InChIKeyCJKBIBQLMQTUOH-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.69
Rot. Bonds3

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

1-(5-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine (PubChem CID 123507334) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(5-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
PubChem CID123507334
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(5-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
SMILESCC=C(C=C(C)OC)N1CCN(C)CC1
InChIInChI=1S/C12H22N2O/c1-5-12(10-11(2)15-4)14-8-6-13(3)7-9-14/h5,10H,6-9H2,1-4H3
InChIKeyCJKBIBQLMQTUOH-UHFFFAOYSA-N
XLogP1.69
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.69
H-Bond Donors ≤ 50
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-Methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium
CID 58594655
1-(5-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 91072400
1-(4-Methoxycyclohepta-1,3,6-trien-1-yl)-4-methylpiperazine
CID 123703462
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106516
1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128655
1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142128693
1-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazine
CID 142202937
(2E,4E)-2-methoxy-5-piperazin-1-ylhexa-2,4-dien-1-amine
CID 142202965
1-(2-Methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium(3+)
CID 23597350
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine
CID 142106517
1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine
CID 142106543
1-[4-[(3E,5E)-6-methoxyhepta-1,3,5-trien-3-yl]piperazin-1-yl]ethanone
CID 142506754

Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine?
The IUPAC name of 1-(5-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine (CID 123507334) is 1-(5-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(5-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine?
The canonical SMILES for 1-(5-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine is CC=C(C=C(C)OC)N1CCN(C)CC1.
What is the InChIKey of 1-(5-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine?
The InChIKey is CJKBIBQLMQTUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-5-12(10-11(2)15-4)14-8-6-13(3)7-9-14/h5,10H,6-9H2,1-4H3.
What are the key properties of 1-(5-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine?
1-(5-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine has a molecular weight of 210.32 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 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)-4-methylpiperazine is sourced from PubChem (CID 123507334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).