(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine

C20H25N3O — CID 5413986

IUPAC(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/C(C)=N\N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-17(19-8-10-20(24-2)11-9-19)21-23-14-12-22(13-15-23)16-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3/b21-17-
InChIKeyVDVOCVXSNGDSGT-FXBPSFAMSA-N
MW323.44 g/mol
LogP3.24
Rot. Bonds5

About (Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine

(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine (PubChem CID 5413986) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is (Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine.

Molecular Properties

Compound Name(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine
PubChem CID5413986
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine
SMILESCOc1ccc(/C(C)=N\N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C20H25N3O/c1-17(19-8-10-20(24-2)11-9-19)21-23-14-12-22(13-15-23)16-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3/b21-17-
InChIKeyVDVOCVXSNGDSGT-FXBPSFAMSA-N
XLogP3.24
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine?
The IUPAC name of (Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine (CID 5413986) is (Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine.
What is the SMILES notation for (Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine?
The canonical SMILES for (Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine is COc1ccc(/C(C)=N\N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine?
The InChIKey is VDVOCVXSNGDSGT-FXBPSFAMSA-N. The full InChI is InChI=1S/C20H25N3O/c1-17(19-8-10-20(24-2)11-9-19)21-23-14-12-22(13-15-23)16-18-6-4-3-5-7-18/h3-11H,12-16H2,1-2H3/b21-17-.
What are the key properties of (Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine?
(Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine has a molecular weight of 323.44 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)ethanimine is sourced from PubChem (CID 5413986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).