(E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine

C19H22FN3 — CID 5347896

IUPAC(E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
SMILESCc1ccc(CN2CCN(/N=C/c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H22FN3/c1-16-5-7-17(8-6-16)15-22-9-11-23(12-10-22)21-14-18-3-2-4-19(20)13-18/h2-8,13-14H,9-12,15H2,1H3/b21-14+
InChIKeyUTWXFZUOVKTKEC-KGENOOAVSA-N
MW311.40 g/mol
LogP3.29
Rot. Bonds4

About (E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine

(E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine (PubChem CID 5347896) has the molecular formula C19H22FN3 and a molecular weight of 311.40 g/mol. Its IUPAC name is (E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine.

Molecular Properties

Compound Name(E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
PubChem CID5347896
Molecular FormulaC19H22FN3
Molecular Weight311.40 g/mol
Exact Mass311.18
IUPAC Name(E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
SMILESCc1ccc(CN2CCN(/N=C/c3cccc(F)c3)CC2)cc1
InChIInChI=1S/C19H22FN3/c1-16-5-7-17(8-6-16)15-22-9-11-23(12-10-22)21-14-18-3-2-4-19(20)13-18/h2-8,13-14H,9-12,15H2,1H3/b21-14+
InChIKeyUTWXFZUOVKTKEC-KGENOOAVSA-N
XLogP3.29
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.29
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-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
The IUPAC name of (E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine (CID 5347896) is (E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine.
What is the SMILES notation for (E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
The canonical SMILES for (E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine is Cc1ccc(CN2CCN(/N=C/c3cccc(F)c3)CC2)cc1.
What is the InChIKey of (E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
The InChIKey is UTWXFZUOVKTKEC-KGENOOAVSA-N. The full InChI is InChI=1S/C19H22FN3/c1-16-5-7-17(8-6-16)15-22-9-11-23(12-10-22)21-14-18-3-2-4-19(20)13-18/h2-8,13-14H,9-12,15H2,1H3/b21-14+.
What are the key properties of (E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine?
(E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine has a molecular weight of 311.40 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine is sourced from PubChem (CID 5347896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).