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

C12H22N2O — CID 123502190

IUPAC1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
SMILESCC=CC(=CCOC)N1CCN(C)CC1
InChIInChI=1S/C12H22N2O/c1-4-5-12(6-11-15-3)14-9-7-13(2)8-10-14/h4-6H,7-11H2,1-3H3
InChIKeyRQUULXUVZAUDCU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.34
Rot. Bonds4

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

1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine (PubChem CID 123502190) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
PubChem CID123502190
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
SMILESCC=CC(=CCOC)N1CCN(C)CC1
InChIInChI=1S/C12H22N2O/c1-4-5-12(6-11-15-3)14-9-7-13(2)8-10-14/h4-6H,7-11H2,1-3H3
InChIKeyRQUULXUVZAUDCU-UHFFFAOYSA-N
XLogP1.34
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-methylpiperazine;2H-pyran-4-amine
CID 68550599
1-[6-(2-Methoxyethoxy)-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine
CID 123392633
1-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazine
CID 123992968
N-[(3Z)-hexa-1,3,5-trien-2-yl]-N'-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 141828867
1-[(3Z)-5-(cyclopropylmethoxy)hexa-1,3,5-trien-2-yl]-4-methylpiperazine
CID 142099643
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106516
1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106542
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
N'-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143767738
1-[(3E)-2-methoxyhexa-1,3,5-trien-3-yl]-4-methylpiperazine
CID 143793869

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine?
The IUPAC name of 1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine (CID 123502190) is 1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine?
The canonical SMILES for 1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine is CC=CC(=CCOC)N1CCN(C)CC1.
What is the InChIKey of 1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine?
The InChIKey is RQUULXUVZAUDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-5-12(6-11-15-3)14-9-7-13(2)8-10-14/h4-6H,7-11H2,1-3H3.
What are the key properties of 1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine?
1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine has a molecular weight of 210.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine is sourced from PubChem (CID 123502190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).