(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine

C24H22N4O2 — CID 5351051

IUPAC(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H22N4O2/c29-28(30)23-12-6-1-7-18(23)17-25-27-15-13-26(14-16-27)24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h1-12,17,24H,13-16H2/b25-17+
InChIKeyYDZTVMFLSZTBCN-KOEQRZSOSA-N
MW398.47 g/mol
LogP4.32
Rot. Bonds4

About (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine

(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine (PubChem CID 5351051) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
PubChem CID5351051
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H22N4O2/c29-28(30)23-12-6-1-7-18(23)17-25-27-15-13-26(14-16-27)24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h1-12,17,24H,13-16H2/b25-17+
InChIKeyYDZTVMFLSZTBCN-KOEQRZSOSA-N
XLogP4.32
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.32
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

(E)-1-(3-bromophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
CID 5350855
(E)-N-(4-benzylpiperazin-4-ium-1-yl)-1-(2-nitrophenyl)methanimine
CID 6861753
(E)-1-(5-bromo-2-fluorophenyl)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]methanimine
CID 6886630
N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
CID 1273007
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
CID 5499805
(E)-N-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine
CID 6886763
(Z)-N-[(Z)-(2-nitrophenyl)methylideneamino]fluoren-9-imine
CID 5408346
(1R,2S,6S,7R)-4-[(Z)-(2-nitrophenyl)methylideneamino]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 98139920
1-[(2-nitrophenyl)methylideneamino]imidazolidine-2,4-dione
CID 71373871
2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol
CID 6905673
N-methyl-N-[(2-nitrophenyl)methylideneamino]methanamine
CID 78408891
2-[(2-nitrophenyl)methylidene]indene-1,3-dione
CID 616194

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine?
The IUPAC name of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine (CID 5351051) is (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine.
What is the SMILES notation for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine?
The canonical SMILES for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine is O=[N+]([O-])c1ccccc1/C=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine?
The InChIKey is YDZTVMFLSZTBCN-KOEQRZSOSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-28(30)23-12-6-1-7-18(23)17-25-27-15-13-26(14-16-27)24-21-10-4-2-8-19(21)20-9-3-5-11-22(20)24/h1-12,17,24H,13-16H2/b25-17+.
What are the key properties of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine?
(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine has a molecular weight of 398.47 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(2-nitrophenyl)methanimine is sourced from PubChem (CID 5351051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).