1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine

C18H20N4O4 — CID 21278908

IUPAC1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine
SMILESO=[N+]([O-])c1ccc(CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIInChI=1S/C18H20N4O4/c23-21(24)17-3-1-15(2-4-17)9-10-19-11-13-20(14-12-19)16-5-7-18(8-6-16)22(25)26/h1-8H,9-14H2
InChIKeyZBQFJLZUDUBCNK-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.87
Rot. Bonds6

About 1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine

1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine (PubChem CID 21278908) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine
PubChem CID21278908
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC Name1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine
SMILESO=[N+]([O-])c1ccc(CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1
InChIInChI=1S/C18H20N4O4/c23-21(24)17-3-1-15(2-4-17)9-10-19-11-13-20(14-12-19)16-5-7-18(8-6-16)22(25)26/h1-8H,9-14H2
InChIKeyZBQFJLZUDUBCNK-UHFFFAOYSA-N
XLogP2.87
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

1,4-Dimethylamino-4-nitrostilbene
CID 5377793
1-(4-Nitro-2-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)phenyl)piperazine
CID 50925412
Piperazine, 1-phenethyl-4-phenyl-
CID 120540
1-Benzyl-N-(2-nitrophenyl)piperidin-4-amine
CID 81675
1-Phenyl-4-(3-phenylpropyl)piperazine
CID 743379
4-[(4-dimethylaminophenyl)-(4-nitrophenyl)methyl]-N,N-dimethyl-aniline
CID 220490
1-Phenyl-4-(4-phenyl-butyl)-piperazine
CID 15723883
2-Methyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine
CID 60509567
1-(4-Nitrophenyl)-4-[(4-nitrophenyl)acetyl]piperazine
CID 2837966
1-(4-Fluorophenyl)-4-(4-nitrophenyl)piperazine
CID 2765094
1-[4-(4-Nitrophenyl)piperazin-1-yl]-2-phenylethanone
CID 2837888
1-(Cyclohexylmethyl)-4-(4-nitrophenyl)piperazine
CID 2845860

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine?
The IUPAC name of 1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine (CID 21278908) is 1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine.
What is the SMILES notation for 1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine?
The canonical SMILES for 1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine is O=[N+]([O-])c1ccc(CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine?
The InChIKey is ZBQFJLZUDUBCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O4/c23-21(24)17-3-1-15(2-4-17)9-10-19-11-13-20(14-12-19)16-5-7-18(8-6-16)22(25)26/h1-8H,9-14H2.
What are the key properties of 1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine?
1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine has a molecular weight of 356.38 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-4-[2-(4-nitrophenyl)ethyl]piperazine is sourced from PubChem (CID 21278908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).