1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine

C18H32N2O — CID 142152733

IUPAC1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine
SMILESC/C=C(OCC)\C(=C/C=C/CN1CCN(C)CC1)CCC
InChIInChI=1S/C18H32N2O/c1-5-10-17(18(6-2)21-7-3)11-8-9-12-20-15-13-19(4)14-16-20/h6,8-9,11H,5,7,10,12-16H2,1-4H3/b9-8+,17-11-,18-6+
InChIKeyFNHCHGBZLIAXKG-NOKOEBQGSA-N
MW292.47 g/mol
LogP3.46
Rot. Bonds8

About 1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine

1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine (PubChem CID 142152733) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine
PubChem CID142152733
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine
SMILESC/C=C(OCC)\C(=C/C=C/CN1CCN(C)CC1)CCC
InChIInChI=1S/C18H32N2O/c1-5-10-17(18(6-2)21-7-3)11-8-9-12-20-15-13-19(4)14-16-20/h6,8-9,11H,5,7,10,12-16H2,1-4H3/b9-8+,17-11-,18-6+
InChIKeyFNHCHGBZLIAXKG-NOKOEBQGSA-N
XLogP3.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.46
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

1-[2-[(2Z,4Z,6Z)-6-ethyl-2-fluoroocta-2,4,6-trien-3-yl]oxyethyl]-4-methylpiperazine
CID 142259030
1-methyl-4-[3-[(3E,6Z)-6-methylocta-1,3,6-trien-3-yl]oxypropyl]piperazine
CID 143655676
ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
CID 143999016
5-Cyclohexa-1,5-dien-1-yloxypentyl-[2-(dimethylamino)ethyl]-dimethylazanium
CID 163816935
1-Methyl-4-[4-(4-methylcyclohepta-1,3,6-trien-1-yl)oxybutyl]piperazine
CID 171071117

Frequently Asked Questions

What is the IUPAC name of 1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine?
The IUPAC name of 1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine (CID 142152733) is 1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine?
The canonical SMILES for 1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine is C/C=C(OCC)\C(=C/C=C/CN1CCN(C)CC1)CCC.
What is the InChIKey of 1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine?
The InChIKey is FNHCHGBZLIAXKG-NOKOEBQGSA-N. The full InChI is InChI=1S/C18H32N2O/c1-5-10-17(18(6-2)21-7-3)11-8-9-12-20-15-13-19(4)14-16-20/h6,8-9,11H,5,7,10,12-16H2,1-4H3/b9-8+,17-11-,18-6+.
What are the key properties of 1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine?
1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine has a molecular weight of 292.47 g/mol, XLogP of 3.46, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4Z,6E)-6-ethoxy-5-propylocta-2,4,6-trienyl]-4-methylpiperazine is sourced from PubChem (CID 142152733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).