1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine

C20H28N2O2 — CID 143368421

IUPAC1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine
SMILESC=C/C=C(\C=C)CN1CCN(Cc2ccc(OC)cc2OC)CC1
InChIInChI=1S/C20H28N2O2/c1-5-7-17(6-2)15-21-10-12-22(13-11-21)16-18-8-9-19(23-3)14-20(18)24-4/h5-9,14H,1-2,10-13,15-16H2,3-4H3/b17-7+
InChIKeyWXSZLZFVKJLKCB-REZTVBANSA-N
MW328.46 g/mol
LogP3.12
Rot. Bonds8

About 1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine

1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine (PubChem CID 143368421) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine.

Molecular Properties

Compound Name1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine
PubChem CID143368421
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine
SMILESC=C/C=C(\C=C)CN1CCN(Cc2ccc(OC)cc2OC)CC1
InChIInChI=1S/C20H28N2O2/c1-5-7-17(6-2)15-21-10-12-22(13-11-21)16-18-8-9-19(23-3)14-20(18)24-4/h5-9,14H,1-2,10-13,15-16H2,3-4H3/b17-7+
InChIKeyWXSZLZFVKJLKCB-REZTVBANSA-N
XLogP3.12
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
1-[(2,4-dimethoxyphenyl)methyl]-4-methylpiperazine;oxalic acid
CID 171151305
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
1-(4-chlorophenyl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 6456141
1-[(2,4-dimethoxyphenyl)methyl]-4-(2-methylcyclohexyl)piperazine
CID 23791064
1-(2,3-dihydro-1H-inden-2-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 74246127
(3,5-dimethoxyphenyl)-[4-[(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]methanone;oxalic acid
CID 17384983
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
1-[(3-bromo-4-methoxyphenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17367259
[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 23767133
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine?
The IUPAC name of 1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine (CID 143368421) is 1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine.
What is the SMILES notation for 1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine?
The canonical SMILES for 1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine is C=C/C=C(\C=C)CN1CCN(Cc2ccc(OC)cc2OC)CC1.
What is the InChIKey of 1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine?
The InChIKey is WXSZLZFVKJLKCB-REZTVBANSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-5-7-17(6-2)15-21-10-12-22(13-11-21)16-18-8-9-19(23-3)14-20(18)24-4/h5-9,14H,1-2,10-13,15-16H2,3-4H3/b17-7+.
What are the key properties of 1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine?
1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine has a molecular weight of 328.46 g/mol, XLogP of 3.12, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxyphenyl)methyl]-4-[(2E)-2-ethenylpenta-2,4-dienyl]piperazine is sourced from PubChem (CID 143368421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).