(E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine

C20H23N3 — CID 5342860

IUPAC(E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3/c1-3-8-19(9-4-1)12-7-13-21-23-16-14-22(15-17-23)18-20-10-5-2-6-11-20/h1-13H,14-18H2/b12-7+,21-13+
InChIKeyIUYKBDHNKXPWCD-VPQCTDNWSA-N
MW305.43 g/mol
LogP3.50
Rot. Bonds5

About (E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine

(E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine (PubChem CID 5342860) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is (E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine.

Molecular Properties

Compound Name(E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
PubChem CID5342860
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name(E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine
SMILESC(=C/c1ccccc1)\C=N\N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H23N3/c1-3-8-19(9-4-1)12-7-13-21-23-16-14-22(15-17-23)18-20-10-5-2-6-11-20/h1-13H,14-18H2/b12-7+,21-13+
InChIKeyIUYKBDHNKXPWCD-VPQCTDNWSA-N
XLogP3.50
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_ene_A(5)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine?
The IUPAC name of (E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine (CID 5342860) is (E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine.
What is the SMILES notation for (E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine?
The canonical SMILES for (E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine is C(=C/c1ccccc1)\C=N\N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine?
The InChIKey is IUYKBDHNKXPWCD-VPQCTDNWSA-N. The full InChI is InChI=1S/C20H23N3/c1-3-8-19(9-4-1)12-7-13-21-23-16-14-22(15-17-23)18-20-10-5-2-6-11-20/h1-13H,14-18H2/b12-7+,21-13+.
What are the key properties of (E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine?
(E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine has a molecular weight of 305.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E,E)-N-(4-benzylpiperazin-1-yl)-3-phenylprop-2-en-1-imine is sourced from PubChem (CID 5342860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).