1-(2-nitrophenyl)-3-phenylpiperazine

C16H17N3O2 — CID 16740872

IUPAC1-(2-nitrophenyl)-3-phenylpiperazine
SMILESO=[N+]([O-])c1ccccc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H17N3O2/c20-19(21)16-9-5-4-8-15(16)18-11-10-17-14(12-18)13-6-2-1-3-7-13/h1-9,14,17H,10-12H2
InChIKeyLWSPEGPKBZXBMF-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.75
Rot. Bonds3

About 1-(2-nitrophenyl)-3-phenylpiperazine

1-(2-nitrophenyl)-3-phenylpiperazine (PubChem CID 16740872) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(2-nitrophenyl)-3-phenylpiperazine.

Molecular Properties

Compound Name1-(2-nitrophenyl)-3-phenylpiperazine
PubChem CID16740872
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(2-nitrophenyl)-3-phenylpiperazine
SMILESO=[N+]([O-])c1ccccc1N1CCNC(c2ccccc2)C1
InChIInChI=1S/C16H17N3O2/c20-19(21)16-9-5-4-8-15(16)18-11-10-17-14(12-18)13-6-2-1-3-7-13/h1-9,14,17H,10-12H2
InChIKeyLWSPEGPKBZXBMF-UHFFFAOYSA-N
XLogP2.75
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-nitrophenyl)-3-phenylpiperazine 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 1-(2-nitrophenyl)-3-phenylpiperazine?
The IUPAC name of 1-(2-nitrophenyl)-3-phenylpiperazine (CID 16740872) is 1-(2-nitrophenyl)-3-phenylpiperazine.
What is the SMILES notation for 1-(2-nitrophenyl)-3-phenylpiperazine?
The canonical SMILES for 1-(2-nitrophenyl)-3-phenylpiperazine is O=[N+]([O-])c1ccccc1N1CCNC(c2ccccc2)C1.
What is the InChIKey of 1-(2-nitrophenyl)-3-phenylpiperazine?
The InChIKey is LWSPEGPKBZXBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-19(21)16-9-5-4-8-15(16)18-11-10-17-14(12-18)13-6-2-1-3-7-13/h1-9,14,17H,10-12H2.
What are the key properties of 1-(2-nitrophenyl)-3-phenylpiperazine?
1-(2-nitrophenyl)-3-phenylpiperazine has a molecular weight of 283.33 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-nitrophenyl)-3-phenylpiperazine is sourced from PubChem (CID 16740872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).