(Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine

C17H18N4O2 — CID 5402580

IUPAC(Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N\N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18N4O2/c22-21(23)17-9-5-4-6-15(17)14-18-20-12-10-19(11-13-20)16-7-2-1-3-8-16/h1-9,14H,10-13H2/b18-14-
InChIKeyRYVNKLPZPBQMJK-JXAWBTAJSA-N
MW310.36 g/mol
LogP2.75
Rot. Bonds4

About (Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine

(Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine (PubChem CID 5402580) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is (Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine
PubChem CID5402580
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name(Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N\N1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H18N4O2/c22-21(23)17-9-5-4-6-15(17)14-18-20-12-10-19(11-13-20)16-7-2-1-3-8-16/h1-9,14H,10-13H2/b18-14-
InChIKeyRYVNKLPZPBQMJK-JXAWBTAJSA-N
XLogP2.75
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
The IUPAC name of (Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine (CID 5402580) is (Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine.
What is the SMILES notation for (Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
The canonical SMILES for (Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine is O=[N+]([O-])c1ccccc1/C=N\N1CCN(c2ccccc2)CC1.
What is the InChIKey of (Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
The InChIKey is RYVNKLPZPBQMJK-JXAWBTAJSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-21(23)17-9-5-4-6-15(17)14-18-20-12-10-19(11-13-20)16-7-2-1-3-8-16/h1-9,14H,10-13H2/b18-14-.
What are the key properties of (Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine?
(Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine has a molecular weight of 310.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2-nitrophenyl)-N-(4-phenylpiperazin-1-yl)methanimine is sourced from PubChem (CID 5402580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).