(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine

C24H24N4O2 — CID 5342991

IUPAC(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N\N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C24H24N4O2/c29-28(30)23-13-7-8-20(18-23)19-25-27-16-14-26(15-17-27)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19,24H,14-17H2/b25-19-
InChIKeyVWIBXJATTNATIR-PLRJNAJWSA-N
MW400.48 g/mol
LogP4.34
Rot. Bonds6

About (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine

(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine (PubChem CID 5342991) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine.

Molecular Properties

Compound Name(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine
PubChem CID5342991
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1cccc(/C=N\N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1
InChIInChI=1S/C24H24N4O2/c29-28(30)23-13-7-8-20(18-23)19-25-27-16-14-26(15-17-27)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19,24H,14-17H2/b25-19-
InChIKeyVWIBXJATTNATIR-PLRJNAJWSA-N
XLogP4.34
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.34
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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Related Compounds

3-[(4-benzhydrylpiperazin-1-yl)iminomethyl]phenol
CID 23935322
N-(4-benzhydrylpiperazin-1-yl)-1-(3-bromophenyl)methanimine
CID 3122935
(E)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(3-nitrophenyl)methanimine;hydrochloride
CID 5343168
(Z)-N-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-1-(3-nitrophenyl)methanimine;hydrochloride
CID 6509368
N-[4-[(4-methylphenyl)methyl]piperazin-4-ium-1-yl]-1-(3-nitrophenyl)methanimine
CID 2180308
(2R)-1-[(Z)-(3-nitrophenyl)methylideneamino]piperidine-2-carboxylic acid
CID 92534481
(E)-N-[4-(4-benzhydrylpiperazin-1-yl)sulfonylphenyl]-3-(3-nitrophenyl)prop-2-enamide
CID 17176017
(2R)-2-hydroxy-N-[(3-nitrophenyl)methylideneamino]-2-phenylacetamide
CID 129441465
N-[(3-nitrophenyl)methylidene]benzenesulfonamide
CID 85437032
N-[(3-nitrophenyl)methylideneamino]-N-phenylaniline
CID 2850900
N-(4-benzylpiperazin-1-yl)-1-(4-nitrophenyl)methanimine
CID 781474
1-(3-nitrophenyl)-N-[8-[(3-nitrophenyl)methylideneamino]octyl]methanimine
CID 139068600

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine?
The IUPAC name of (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine (CID 5342991) is (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine.
What is the SMILES notation for (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine?
The canonical SMILES for (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine is O=[N+]([O-])c1cccc(/C=N\N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1.
What is the InChIKey of (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine?
The InChIKey is VWIBXJATTNATIR-PLRJNAJWSA-N. The full InChI is InChI=1S/C24H24N4O2/c29-28(30)23-13-7-8-20(18-23)19-25-27-16-14-26(15-17-27)24(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-13,18-19,24H,14-17H2/b25-19-.
What are the key properties of (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine?
(Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine has a molecular weight of 400.48 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(4-benzhydrylpiperazin-1-yl)-1-(3-nitrophenyl)methanimine is sourced from PubChem (CID 5342991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).