(E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride

C20H26ClN3O — CID 5342826

IUPAC(E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride
SMILESCCOc1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-2-24-20-11-7-6-10-19(20)16-21-23-14-12-22(13-15-23)17-18-8-4-3-5-9-18;/h3-11,16H,2,12-15,17H2,1H3;1H/b21-16+;
InChIKeyVKDZIDTVKDODLT-JEBHESKQSA-N
MW359.90 g/mol
LogP3.66
Rot. Bonds6

About (E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride

(E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride (PubChem CID 5342826) has the molecular formula C20H26ClN3O and a molecular weight of 359.90 g/mol. Its IUPAC name is (E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride.

Molecular Properties

Compound Name(E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride
PubChem CID5342826
Molecular FormulaC20H26ClN3O
Molecular Weight359.90 g/mol
Exact Mass359.18
IUPAC Name(E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride
SMILESCCOc1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1.Cl
InChIInChI=1S/C20H25N3O.ClH/c1-2-24-20-11-7-6-10-19(20)16-21-23-14-12-22(13-15-23)17-18-8-4-3-5-9-18;/h3-11,16H,2,12-15,17H2,1H3;1H/b21-16+;
InChIKeyVKDZIDTVKDODLT-JEBHESKQSA-N
XLogP3.66
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.90
LogP ≤ 53.66
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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Related Compounds

Piperazine, 1-dibenz(b,f)oxepin-10-yl-4-methyl-
CID 210956
(4-(2-Chloro-benzyl)-piperazin-1-YL)-(2-methoxy-benzylidene)-amine
CID 5343107
N-[4-(benzyloxy)benzylidene]-4-methyl-1-piperazinamine
CID 6873986
(E)-N-(2,6-dimethylpiperidin-1-yl)-1-(4-ethoxyphenyl)methanimine
CID 9608115
4-benzyl-N-(4-ethoxybenzylidene)-1-piperazinamine
CID 5342850
(4-Benzyl-piperazin-1-yl)-[3-(2-methoxy-phenyl)-allylidene]-amine
CID 5343016
1-[4-(Benzyloxy)benzyl]-4-ethylpiperazine
CID 782983
2-(4-Benzyl-1-piperazinyl)-N'-(4-ethoxybenzylidene)acetohydrazide
CID 9638193
N-(azepan-1-yl)-1-(2-ethoxyphenyl)methanimine
CID 255910
1-[4-(Benzyloxy)benzyl]-4-methylpiperazine
CID 782774
4-(4-chlorobenzyl)-N-[3-(2-methoxyphenyl)-2-propen-1-ylidene]-1-piperazinamine hydrochloride
CID 9567331
N,N-Dibenzyl-N''-[1-(4-methoxy-phenyl)-meth-(E)-ylidene]-hydrazine
CID 9927509

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride?
The IUPAC name of (E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride (CID 5342826) is (E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride.
What is the SMILES notation for (E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride?
The canonical SMILES for (E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride is CCOc1ccccc1/C=N/N1CCN(Cc2ccccc2)CC1.Cl.
What is the InChIKey of (E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride?
The InChIKey is VKDZIDTVKDODLT-JEBHESKQSA-N. The full InChI is InChI=1S/C20H25N3O.ClH/c1-2-24-20-11-7-6-10-19(20)16-21-23-14-12-22(13-15-23)17-18-8-4-3-5-9-18;/h3-11,16H,2,12-15,17H2,1H3;1H/b21-16+;.
What are the key properties of (E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride?
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride has a molecular weight of 359.90 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine;hydrochloride is sourced from PubChem (CID 5342826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).