1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine

C26H28N2 — CID 122219060

IUPAC1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine
SMILESC(=C/C(c1ccccc1)N1CCN(Cc2ccccc2)CC1)\c1ccccc1
InChIInChI=1S/C26H28N2/c1-4-10-23(11-5-1)16-17-26(25-14-8-3-9-15-25)28-20-18-27(19-21-28)22-24-12-6-2-7-13-24/h1-17,26H,18-22H2/b17-16+
InChIKeyFWMLWQSLCXXQOC-WUKNDPDISA-N
MW368.52 g/mol
LogP5.26
Rot. Bonds6

About 1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine

1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine (PubChem CID 122219060) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine
PubChem CID122219060
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine
SMILESC(=C/C(c1ccccc1)N1CCN(Cc2ccccc2)CC1)\c1ccccc1
InChIInChI=1S/C26H28N2/c1-4-10-23(11-5-1)16-17-26(25-14-8-3-9-15-25)28-20-18-27(19-21-28)22-24-12-6-2-7-13-24/h1-17,26H,18-22H2/b17-16+
InChIKeyFWMLWQSLCXXQOC-WUKNDPDISA-N
XLogP5.26
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,3-diphenylprop-2-enyl)morpholine
CID 56612112
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-4-[(1R)-1,2-diphenylethyl]piperazine
CID 71276997
2-(4-benzylpiperazin-1-yl)-2-phenylethanamine
CID 18071222
(E)-1-(4-benzylpiperazin-1-yl)-2,2-difluoro-3-hydroxy-5-phenylpent-4-en-1-one
CID 11292106
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
(E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
CID 5342860
1-benzyl-4-(3-phenylprop-2-enyl)piperazine;oxalic acid
CID 171151283
(E)-1-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-one
CID 717624
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzyl-4-[(2R)-butan-2-yl]piperazine
CID 2248321
(1S)-2-(4-benzylpiperazin-1-yl)-1-phenylethanol;dihydrochloride
CID 69054522

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine?
The IUPAC name of 1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine (CID 122219060) is 1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine is C(=C/C(c1ccccc1)N1CCN(Cc2ccccc2)CC1)\c1ccccc1.
What is the InChIKey of 1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine?
The InChIKey is FWMLWQSLCXXQOC-WUKNDPDISA-N. The full InChI is InChI=1S/C26H28N2/c1-4-10-23(11-5-1)16-17-26(25-14-8-3-9-15-25)28-20-18-27(19-21-28)22-24-12-6-2-7-13-24/h1-17,26H,18-22H2/b17-16+.
What are the key properties of 1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine?
1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine has a molecular weight of 368.52 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(E)-1,3-diphenylprop-2-enyl]piperazine is sourced from PubChem (CID 122219060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).