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

C12H20N2O — CID 142128693

IUPAC1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
SMILESC=C(/C=C\C(=C)N1CCN(C)CC1)OC
InChIInChI=1S/C12H20N2O/c1-11(5-6-12(2)15-4)14-9-7-13(3)8-10-14/h5-6H,1-2,7-10H2,3-4H3/b6-5-
InChIKeyBBJPISMGXOIALO-WAYWQWQTSA-N
MW208.30 g/mol
LogP1.46
Rot. Bonds4

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

1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine (PubChem CID 142128693) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
PubChem CID142128693
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine
SMILESC=C(/C=C\C(=C)N1CCN(C)CC1)OC
InChIInChI=1S/C12H20N2O/c1-11(5-6-12(2)15-4)14-9-7-13(3)8-10-14/h5-6H,1-2,7-10H2,3-4H3/b6-5-
InChIKeyBBJPISMGXOIALO-WAYWQWQTSA-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

N'-[(4E)-6-ethoxy-4-fluorohepta-2,4,6-trien-3-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 143046248
1-(2-Methoxybenzene-5-id-1-yl)-4-methylpiperazine;yttrium
CID 58594655
1-[(2Z,4Z)-3-methoxyhexa-2,4-dien-2-yl]-4-pentylpiperazine
CID 117797077
1-[4-(5-Methoxyhexa-1,3,5-trien-3-yl)piperazin-1-yl]ethanone
CID 123284533
N'-(5-methoxyhexa-1,3,5-trien-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 123324320
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-(3-Methoxyhexa-2,4-dien-2-yl)-4-pentylpiperazine
CID 123635814
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)-3-methoxy-5-methylhexa-2,4-dien-2-yl]-4-methylpiperazine
CID 139516222
1-[(2Z,4Z)-3-methoxyhepta-2,4,6-trien-2-yl]piperazine
CID 141788352

Frequently Asked Questions

What is the IUPAC name of 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine?
The IUPAC name of 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine (CID 142128693) is 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine?
The canonical SMILES for 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine is C=C(/C=C\C(=C)N1CCN(C)CC1)OC.
What is the InChIKey of 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine?
The InChIKey is BBJPISMGXOIALO-WAYWQWQTSA-N. The full InChI is InChI=1S/C12H20N2O/c1-11(5-6-12(2)15-4)14-9-7-13(3)8-10-14/h5-6H,1-2,7-10H2,3-4H3/b6-5-.
What are the key properties of 1-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine?
1-[(3Z)-5-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-[(3Z)-5-methoxyhexa-1,3,5-trien-2-yl]-4-methylpiperazine is sourced from PubChem (CID 142128693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).