2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol

C19H23N3O — CID 135635818

IUPAC2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
SMILESCc1ccc(CN2CCN(/N=C/c3ccccc3O)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-16-6-8-17(9-7-16)15-21-10-12-22(13-11-21)20-14-18-4-2-3-5-19(18)23/h2-9,14,23H,10-13,15H2,1H3/b20-14+
InChIKeyHDSKNFJOPFFJER-XSFVSMFZSA-N
MW309.41 g/mol
LogP2.85
Rot. Bonds4

About 2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol

2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol (PubChem CID 135635818) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol.

Molecular Properties

Compound Name2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
PubChem CID135635818
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
SMILESCc1ccc(CN2CCN(/N=C/c3ccccc3O)CC2)cc1
InChIInChI=1S/C19H23N3O/c1-16-6-8-17(9-7-16)15-21-10-12-22(13-11-21)20-14-18-4-2-3-5-19(18)23/h2-9,14,23H,10-13,15H2,1H3/b20-14+
InChIKeyHDSKNFJOPFFJER-XSFVSMFZSA-N
XLogP2.85
TPSA39.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(4-benzylpiperazin-1-yl)-N'-(2-hydroxybenzylidene)acetohydrazide
CID 135501892
2-[1-(4-Phenyl-piperazin-1-ylimino)-ethyl]-phenol
CID 135492287
N'-(2-hydroxybenzylidene)-N-methylbenzenecarbothiohydrazide
CID 135446725
4-{[4-(4-Methyl-benzyl)-piperazin-1-ylimino]-methyl}-benzene-1,2-diol
CID 135544886
(4-Benzyl-piperazin-1-yl)-[3-(2-methoxy-phenyl)-allylidene]-amine
CID 5343016
2,4-Dibromo-6-(((4-(4-methylbenzyl)-1-piperazinyl)imino)methyl)phenol
CID 135498007
4-Bromo-2-(((4-(4-methylbenzyl)-1-piperazinyl)imino)methyl)phenol
CID 135501759
2-[(4-Methylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol
CID 122185208
2-[(4-Ethylpiperazin-1-yl)methyl]-5-(3-phenylpropyl)phenol
CID 122185209
4-{(E)-[(4-benzylpiperazin-1-yl)imino]methyl}phenol
CID 135576688
2-[(E)-piperidin-1-yliminomethyl]phenol
CID 135519984
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-hydroxy-3-propylphenyl)methylideneamino]acetamide
CID 136510243

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol?
The IUPAC name of 2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol (CID 135635818) is 2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol.
What is the SMILES notation for 2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol?
The canonical SMILES for 2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol is Cc1ccc(CN2CCN(/N=C/c3ccccc3O)CC2)cc1.
What is the InChIKey of 2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol?
The InChIKey is HDSKNFJOPFFJER-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H23N3O/c1-16-6-8-17(9-7-16)15-21-10-12-22(13-11-21)20-14-18-4-2-3-5-19(18)23/h2-9,14,23H,10-13,15H2,1H3/b20-14+.
What are the key properties of 2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol?
2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol has a molecular weight of 309.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol is sourced from PubChem (CID 135635818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).