1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine

C25H34N2O — CID 155520226

IUPAC1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine
SMILESC(=C/c1ccccc1)\CN1CCN(CCCOCCCc2ccccc2)CC1
InChIInChI=1S/C25H34N2O/c1-3-10-24(11-4-1)14-7-16-26-18-20-27(21-19-26)17-9-23-28-22-8-15-25-12-5-2-6-13-25/h1-7,10-14H,8-9,15-23H2/b14-7+
InChIKeyQBRDAXMNYIKKBX-VGOFMYFVSA-N
MW378.56 g/mol
LogP4.36
Rot. Bonds11

About 1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine

1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine (PubChem CID 155520226) has the molecular formula C25H34N2O and a molecular weight of 378.56 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine
PubChem CID155520226
Molecular FormulaC25H34N2O
Molecular Weight378.56 g/mol
Exact Mass378.27
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine
SMILESC(=C/c1ccccc1)\CN1CCN(CCCOCCCc2ccccc2)CC1
InChIInChI=1S/C25H34N2O/c1-3-10-24(11-4-1)14-7-16-26-18-20-27(21-19-26)17-9-23-28-22-8-15-25-12-5-2-6-13-25/h1-7,10-14H,8-9,15-23H2/b14-7+
InChIKeyQBRDAXMNYIKKBX-VGOFMYFVSA-N
XLogP4.36
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine (CID 155520226) is 1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine is C(=C/c1ccccc1)\CN1CCN(CCCOCCCc2ccccc2)CC1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine?
The InChIKey is QBRDAXMNYIKKBX-VGOFMYFVSA-N. The full InChI is InChI=1S/C25H34N2O/c1-3-10-24(11-4-1)14-7-16-26-18-20-27(21-19-26)17-9-23-28-22-8-15-25-12-5-2-6-13-25/h1-7,10-14H,8-9,15-23H2/b14-7+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine?
1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine has a molecular weight of 378.56 g/mol, XLogP of 4.36, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-4-[3-(3-phenylpropoxy)propyl]piperazine is sourced from PubChem (CID 155520226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).