1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine

C21H30N4 — CID 90561202

IUPAC1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
SMILESCC(C)c1nccn1CCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H30N4/c1-19(2)21-22-10-12-25(21)18-17-24-15-13-23(14-16-24)11-6-9-20-7-4-3-5-8-20/h3-10,12,19H,11,13-18H2,1-2H3/b9-6+
InChIKeyUJAQYLURKQRRTO-RMKNXTFCSA-N
MW338.50 g/mol
LogP3.34
Rot. Bonds7

About 1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine

1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine (PubChem CID 90561202) has the molecular formula C21H30N4 and a molecular weight of 338.50 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
PubChem CID90561202
Molecular FormulaC21H30N4
Molecular Weight338.50 g/mol
Exact Mass338.25
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
SMILESCC(C)c1nccn1CCN1CCN(C/C=C/c2ccccc2)CC1
InChIInChI=1S/C21H30N4/c1-19(2)21-22-10-12-25(21)18-17-24-15-13-23(14-16-24)11-6-9-20-7-4-3-5-8-20/h3-10,12,19H,11,13-18H2,1-2H3/b9-6+
InChIKeyUJAQYLURKQRRTO-RMKNXTFCSA-N
XLogP3.34
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine 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

1-[(E)-3-phenylprop-2-enyl]-4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine
CID 90494159
2-[2-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]ethyl]isoindole-1,3-dione
CID 90561293
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
(2R)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-2-ol
CID 95322641
3-[3-oxo-3-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]propyl]quinazolin-4-one
CID 90560987
N,N-dimethyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine-1-sulfonamide
CID 90561400
1-(2-ethoxyphenyl)sulfonyl-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine
CID 90561429
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanoic acid
CID 67280873
1-[4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazin-1-yl]-2-(4-propan-2-ylphenoxy)ethanone
CID 90561095
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 108992859
N-[2,6-di(propan-2-yl)phenyl]-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetamide
CID 8545309
4-[(E)-3-phenylprop-2-enyl]-N-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 108990279

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine (CID 90561202) is 1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine is CC(C)c1nccn1CCN1CCN(C/C=C/c2ccccc2)CC1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine?
The InChIKey is UJAQYLURKQRRTO-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H30N4/c1-19(2)21-22-10-12-25(21)18-17-24-15-13-23(14-16-24)11-6-9-20-7-4-3-5-8-20/h3-10,12,19H,11,13-18H2,1-2H3/b9-6+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine?
1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine has a molecular weight of 338.50 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-4-[2-(2-propan-2-ylimidazol-1-yl)ethyl]piperazine is sourced from PubChem (CID 90561202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).