1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine

C15H22N2O — CID 123482085

IUPAC1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(CC(C=C)=CC(=C)OC)CC1
InChIInChI=1S/C15H22N2O/c1-5-7-16-8-10-17(11-9-16)13-15(6-2)12-14(3)18-4/h1,6,12H,2-3,7-11,13H2,4H3
InChIKeyNUEOAXPRYPTBBS-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.51
Rot. Bonds6

About 1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine

1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine (PubChem CID 123482085) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine.

Molecular Properties

Compound Name1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine
PubChem CID123482085
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine
SMILESC#CCN1CCN(CC(C=C)=CC(=C)OC)CC1
InChIInChI=1S/C15H22N2O/c1-5-7-16-8-10-17(11-9-16)13-15(6-2)12-14(3)18-4/h1,6,12H,2-3,7-11,13H2,4H3
InChIKeyNUEOAXPRYPTBBS-UHFFFAOYSA-N
XLogP1.51
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.51
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
CID 143999016
ethane;(5Z)-6-methylidene-3-prop-2-enyl-5-prop-2-enylidene-1,3-oxazinane
CID 145430745
1-[(3Z)-3-(1-methoxyethenyl)hexa-1,3,5-trien-2-yl]-4-prop-1-ynylpiperazine
CID 155111761
Carbanide;1-[(3-methoxy-4-methylbenzene-2-id-1-yl)methyl]-4-prop-2-enylpiperazine;uranium(2+)
CID 163783016
1-[(2E,3Z)-2-ethylidene-5-methoxyhexa-3,5-dienyl]-4-methylpiperazine
CID 143999017

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine?
The IUPAC name of 1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine (CID 123482085) is 1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine.
What is the SMILES notation for 1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine?
The canonical SMILES for 1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine is C#CCN1CCN(CC(C=C)=CC(=C)OC)CC1.
What is the InChIKey of 1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine?
The InChIKey is NUEOAXPRYPTBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-5-7-16-8-10-17(11-9-16)13-15(6-2)12-14(3)18-4/h1,6,12H,2-3,7-11,13H2,4H3.
What are the key properties of 1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine?
1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine has a molecular weight of 246.35 g/mol, XLogP of 1.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenyl-4-methoxypenta-2,4-dienyl)-4-prop-2-ynylpiperazine is sourced from PubChem (CID 123482085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).