1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine

C12H20N2O — CID 142128655

IUPAC1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
SMILESC=C/C=C(/OC)C(=C)N1CCN(C)CC1
InChIInChI=1S/C12H20N2O/c1-5-6-12(15-4)11(2)14-9-7-13(3)8-10-14/h5-6H,1-2,7-10H2,3-4H3/b12-6+
InChIKeyDTYBNNFIVBMJSI-WUXMJOGZSA-N
MW208.30 g/mol
LogP1.46
Rot. Bonds4

About 1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine

1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine (PubChem CID 142128655) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
PubChem CID142128655
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
SMILESC=C/C=C(/OC)C(=C)N1CCN(C)CC1
InChIInChI=1S/C12H20N2O/c1-5-6-12(15-4)11(2)14-9-7-13(3)8-10-14/h5-6H,1-2,7-10H2,3-4H3/b12-6+
InChIKeyDTYBNNFIVBMJSI-WUXMJOGZSA-N
XLogP1.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.46
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

2-Dimethylamino-3-isopropyl(3-dimethylamino)-2h-pyran
CID 129789428
1-(2-Methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium
CID 58594655
3-Methoxy-1-methyl-2-methylidenepyridine
CID 91203868
1-(1-Methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
CID 123502190
1-(5-Methoxyhexa-2,4-dien-3-yl)-4-methylpiperazine
CID 123507334
1-(4-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 123867482
3-But-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
CID 123995320
ethene;(2E)-4-ethenyl-2-ethylidene-5-methyl-3-methylidenemorpholine
CID 141805781
ethene;(2E)-4-ethenyl-2-ethylidene-5-methyl-3-methylidenemorpholine;propane
CID 141805786
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-(5-Methoxycyclohepta-1,4,6-trien-1-yl)-4-methylpiperazine
CID 141952227
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]-2,4-dimethylpiperazine;prop-1-ene
CID 142106516

Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine (CID 142128655) is 1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine is C=C/C=C(/OC)C(=C)N1CCN(C)CC1.
What is the InChIKey of 1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine?
The InChIKey is DTYBNNFIVBMJSI-WUXMJOGZSA-N. The full InChI is InChI=1S/C12H20N2O/c1-5-6-12(15-4)11(2)14-9-7-13(3)8-10-14/h5-6H,1-2,7-10H2,3-4H3/b12-6+.
What are the key properties of 1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine?
1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine has a molecular weight of 208.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine is sourced from PubChem (CID 142128655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).