N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride

C20H25ClN3O- — CID 53351898

IUPACN-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride
SMILESCCOc1ccccc1C=NN1CCN(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/p-1
InChIKeyVKDZIDTVKDODLT-UHFFFAOYSA-M
MW358.89 g/mol
LogP0.24
Rot. Bonds6

About N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride

N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride (PubChem CID 53351898) has the molecular formula C20H25ClN3O- and a molecular weight of 358.89 g/mol. Its IUPAC name is N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride.

Molecular Properties

Compound NameN-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride
PubChem CID53351898
Molecular FormulaC20H25ClN3O-
Molecular Weight358.89 g/mol
Exact Mass358.17
IUPAC NameN-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride
SMILESCCOc1ccccc1C=NN1CCN(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/p-1
InChIKeyVKDZIDTVKDODLT-UHFFFAOYSA-M
XLogP0.24
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 50.24
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

N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-ethoxyphenyl)methanimine
CID 2139353
(E)-N-(4-benzylpiperazin-1-yl)-1-(2-fluorophenyl)methanimine
CID 5342676
(E)-N-(4-benzylpiperazin-1-yl)-1-(2,4-dimethoxyphenyl)methanimine
CID 6887175
2-[(Z)-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]-6-ethoxyphenol
CID 135948689
N-(4-benzylpiperazin-1-yl)-1-(2,5-dimethoxyphenyl)methanimine
CID 869954
2-[2-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]iminomethyl]phenoxy]acetic acid
CID 1351372
N-(4-benzylpiperazin-1-yl)-1-(4-methylphenyl)methanimine
CID 726928
1-(2-chlorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 3383332
2-[[4-[(4-methylphenyl)methyl]piperazin-1-yl]iminomethyl]phenol
CID 873932
(Z)-1-(2-fluorophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 5392046
(Z)-N-(4-benzylpiperazin-1-yl)-1-(3,4-dimethoxyphenyl)methanimine
CID 5413985
1-(2,3-dimethoxyphenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
CID 2794205

Frequently Asked Questions

What is the IUPAC name of N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride?
The IUPAC name of N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride (CID 53351898) is N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride.
What is the SMILES notation for N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride?
The canonical SMILES for N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride is CCOc1ccccc1C=NN1CCN(Cc2ccccc2)CC1.[Cl-].
What is the InChIKey of N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride?
The InChIKey is VKDZIDTVKDODLT-UHFFFAOYSA-M. 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/p-1.
What are the key properties of N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride?
N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride has a molecular weight of 358.89 g/mol, XLogP of 0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzylpiperazin-1-yl)-1-(2-ethoxyphenyl)methanimine chloride is sourced from PubChem (CID 53351898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).