(E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine

C18H21N3 — CID 5347951

IUPAC(E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
SMILESCc1cccc(/C=N/N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H21N3/c1-16-6-5-7-17(14-16)15-19-21-12-10-20(11-13-21)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3/b19-15+
InChIKeyNJCPKBULCCSCOS-XDJHFCHBSA-N
MW279.39 g/mol
LogP3.15
Rot. Bonds3

About (E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine

(E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine (PubChem CID 5347951) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is (E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
PubChem CID5347951
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name(E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine
SMILESCc1cccc(/C=N/N2CCN(c3ccccc3)CC2)c1
InChIInChI=1S/C18H21N3/c1-16-6-5-7-17(14-16)15-19-21-12-10-20(11-13-21)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3/b19-15+
InChIKeyNJCPKBULCCSCOS-XDJHFCHBSA-N
XLogP3.15
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
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)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine (CID 5347951) is (E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine is Cc1cccc(/C=N/N2CCN(c3ccccc3)CC2)c1.
What is the InChIKey of (E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
The InChIKey is NJCPKBULCCSCOS-XDJHFCHBSA-N. The full InChI is InChI=1S/C18H21N3/c1-16-6-5-7-17(14-16)15-19-21-12-10-20(11-13-21)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3/b19-15+.
What are the key properties of (E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
(E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine has a molecular weight of 279.39 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-methylphenyl)-N-(4-phenylpiperazin-1-yl)methanimine is sourced from PubChem (CID 5347951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).