1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine

C21H24N2 — CID 57083687

IUPAC1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine
SMILESC(C=Cc1ccccc1)=CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N2/c1-4-10-20(11-5-1)12-6-3-9-15-22-16-18-23(19-17-22)21-13-7-2-8-14-21/h1-14H,15-19H2
InChIKeyRKJNMUXHVGESGG-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.08
Rot. Bonds5

About 1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine

1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine (PubChem CID 57083687) has the molecular formula C21H24N2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine.

Molecular Properties

Compound Name1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine
PubChem CID57083687
Molecular FormulaC21H24N2
Molecular Weight304.44 g/mol
Exact Mass304.19
IUPAC Name1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine
SMILESC(C=Cc1ccccc1)=CCN1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H24N2/c1-4-10-20(11-5-1)12-6-3-9-15-22-16-18-23(19-17-22)21-13-7-2-8-14-21/h1-14H,15-19H2
InChIKeyRKJNMUXHVGESGG-UHFFFAOYSA-N
XLogP4.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
(4-phenylpiperazin-1-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 108989523
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
1-[(E)-3-phenylprop-2-enyl]azepane
CID 10867670
1-(6-chloro-5-methyl-3-pyridinyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 82225075
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 110295151
2,2,5,5-tetramethyl-1-[(2E,4E)-5-phenylpenta-2,4-dienyl]-1,2,5-azadisilolidine
CID 10542351
1-(4-bromo-3-methoxyphenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 10293563
tert-butyl N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]carbamate
CID 112984580
N-[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]pentanamide
CID 112984571

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine?
The IUPAC name of 1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine (CID 57083687) is 1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine.
What is the SMILES notation for 1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine?
The canonical SMILES for 1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine is C(C=Cc1ccccc1)=CCN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine?
The InChIKey is RKJNMUXHVGESGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2/c1-4-10-20(11-5-1)12-6-3-9-15-22-16-18-23(19-17-22)21-13-7-2-8-14-21/h1-14H,15-19H2.
What are the key properties of 1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine?
1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine has a molecular weight of 304.44 g/mol, XLogP of 4.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(5-phenylpenta-2,4-dienyl)piperazine is sourced from PubChem (CID 57083687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).