1-(4-nitrophenyl)-4-phenylpiperazine

C16H17N3O2 — CID 4011831

IUPAC1-(4-nitrophenyl)-4-phenylpiperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C16H17N3O2/c20-19(21)16-8-6-15(7-9-16)18-12-10-17(11-13-18)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyYZFKJWVCVQXRMB-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.92
Rot. Bonds3

About 1-(4-nitrophenyl)-4-phenylpiperazine

1-(4-nitrophenyl)-4-phenylpiperazine (PubChem CID 4011831) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(4-nitrophenyl)-4-phenylpiperazine
PubChem CID4011831
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name1-(4-nitrophenyl)-4-phenylpiperazine
SMILESO=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C16H17N3O2/c20-19(21)16-8-6-15(7-9-16)18-12-10-17(11-13-18)14-4-2-1-3-5-14/h1-9H,10-13H2
InChIKeyYZFKJWVCVQXRMB-UHFFFAOYSA-N
XLogP2.92
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Disperse orange 25
CID 92278
N,N-Dimethyl-4-nitroaniline
CID 7491
Piperidine, 1-(4-nitrophenyl)-
CID 81049
4-Nitrotriphenylamine
CID 350141
Amocarzine
CID 5464102
1-(4-Nitro-2-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)phenyl)piperazine
CID 50925412
4-(4-Nitrophenyl)morpholine
CID 25222
1-(2,4-Dinitrophenyl)piperidine
CID 225454
N,N-Diethyl-4-nitrobenzenamine
CID 75185
1-(3-Nitrophenyl)piperazine
CID 2760216
N-cyclohexyl-4-(4-nitrophenyl)piperazine-1-carboxamide
CID 2932747
1-(2-Nitrophenyl)piperazine
CID 100949

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-4-phenylpiperazine?
The IUPAC name of 1-(4-nitrophenyl)-4-phenylpiperazine (CID 4011831) is 1-(4-nitrophenyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(4-nitrophenyl)-4-phenylpiperazine?
The canonical SMILES for 1-(4-nitrophenyl)-4-phenylpiperazine is O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-(4-nitrophenyl)-4-phenylpiperazine?
The InChIKey is YZFKJWVCVQXRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-19(21)16-8-6-15(7-9-16)18-12-10-17(11-13-18)14-4-2-1-3-5-14/h1-9H,10-13H2.
What are the key properties of 1-(4-nitrophenyl)-4-phenylpiperazine?
1-(4-nitrophenyl)-4-phenylpiperazine has a molecular weight of 283.33 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-4-phenylpiperazine is sourced from PubChem (CID 4011831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).