(Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine

C18H20N4O2 — CID 5344435

IUPAC(Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine
SMILESC/C(=N/N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H20N4O2/c1-15(16-6-5-9-18(14-16)22(23)24)19-21-12-10-20(11-13-21)17-7-3-2-4-8-17/h2-9,14H,10-13H2,1H3/b19-15-
InChIKeyWOEFJMWTXLNPPN-CYVLTUHYSA-N
MW324.38 g/mol
LogP3.14
Rot. Bonds4

About (Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine

(Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine (PubChem CID 5344435) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is (Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine.

Molecular Properties

Compound Name(Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine
PubChem CID5344435
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name(Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine
SMILESC/C(=N/N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H20N4O2/c1-15(16-6-5-9-18(14-16)22(23)24)19-21-12-10-20(11-13-21)17-7-3-2-4-8-17/h2-9,14H,10-13H2,1H3/b19-15-
InChIKeyWOEFJMWTXLNPPN-CYVLTUHYSA-N
XLogP3.14
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine?
The IUPAC name of (Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine (CID 5344435) is (Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine.
What is the SMILES notation for (Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine?
The canonical SMILES for (Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine is C/C(=N/N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of (Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine?
The InChIKey is WOEFJMWTXLNPPN-CYVLTUHYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-15(16-6-5-9-18(14-16)22(23)24)19-21-12-10-20(11-13-21)17-7-3-2-4-8-17/h2-9,14H,10-13H2,1H3/b19-15-.
What are the key properties of (Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine?
(Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine has a molecular weight of 324.38 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-nitrophenyl)-N-(4-phenylpiperazin-1-yl)ethanimine is sourced from PubChem (CID 5344435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).