(E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine

C19H23N3O — CID 6873986

IUPAC(E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
SMILESCN1CCN(/N=C/c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C19H23N3O/c1-21-11-13-22(14-12-21)20-15-17-7-9-19(10-8-17)23-16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b20-15+
InChIKeyYKTGLPHPYRTGRT-HMMYKYKNSA-N
MW309.41 g/mol
LogP2.85
Rot. Bonds5

About (E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine

(E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine (PubChem CID 6873986) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is (E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
PubChem CID6873986
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name(E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine
SMILESCN1CCN(/N=C/c2ccc(OCc3ccccc3)cc2)CC1
InChIInChI=1S/C19H23N3O/c1-21-11-13-22(14-12-21)20-15-17-7-9-19(10-8-17)23-16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b20-15+
InChIKeyYKTGLPHPYRTGRT-HMMYKYKNSA-N
XLogP2.85
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine?
The IUPAC name of (E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine (CID 6873986) is (E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine?
The canonical SMILES for (E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine is CN1CCN(/N=C/c2ccc(OCc3ccccc3)cc2)CC1.
What is the InChIKey of (E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine?
The InChIKey is YKTGLPHPYRTGRT-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H23N3O/c1-21-11-13-22(14-12-21)20-15-17-7-9-19(10-8-17)23-16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3/b20-15+.
What are the key properties of (E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine?
(E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine has a molecular weight of 309.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-methylpiperazin-1-yl)-1-(4-phenylmethoxyphenyl)methanimine is sourced from PubChem (CID 6873986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).