(E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine

C19H23N3 — CID 5343053

IUPAC(E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
SMILESCc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3/c1-17-7-9-18(10-8-17)15-20-22-13-11-21(12-14-22)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3/b20-15+
InChIKeyPDLFBOJFVSJZHB-HMMYKYKNSA-N
MW293.41 g/mol
LogP3.15
Rot. Bonds4

About (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine

(E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine (PubChem CID 5343053) has the molecular formula C19H23N3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
PubChem CID5343053
Molecular FormulaC19H23N3
Molecular Weight293.41 g/mol
Exact Mass293.19
IUPAC Name(E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
SMILESCc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H23N3/c1-17-7-9-18(10-8-17)15-20-22-13-11-21(12-14-22)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3/b20-15+
InChIKeyPDLFBOJFVSJZHB-HMMYKYKNSA-N
XLogP3.15
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine?
The IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine (CID 5343053) is (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine.
What is the SMILES notation for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine?
The canonical SMILES for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine is Cc1ccc(/C=N/N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine?
The InChIKey is PDLFBOJFVSJZHB-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H23N3/c1-17-7-9-18(10-8-17)15-20-22-13-11-21(12-14-22)16-19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3/b20-15+.
What are the key properties of (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine?
(E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine has a molecular weight of 293.41 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine is sourced from PubChem (CID 5343053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).