1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine

C17H18FN3O2 — CID 792266

IUPAC1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine
SMILESO=[N+]([O-])c1ccccc1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O2/c18-15-5-7-16(8-6-15)20-11-9-19(10-12-20)13-14-3-1-2-4-17(14)21(22)23/h1-8H,9-13H2
InChIKeyHDKLJQNQCJBVDA-UHFFFAOYSA-N
MW315.35 g/mol
LogP3.06
Rot. Bonds4

About 1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine

1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine (PubChem CID 792266) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine
PubChem CID792266
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine
SMILESO=[N+]([O-])c1ccccc1CN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H18FN3O2/c18-15-5-7-16(8-6-15)20-11-9-19(10-12-20)13-14-3-1-2-4-17(14)21(22)23/h1-8H,9-13H2
InChIKeyHDKLJQNQCJBVDA-UHFFFAOYSA-N
XLogP3.06
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
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-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Dimethylamino-4-nitrostilbene
CID 5377793
1-(4-Nitro-2-(trifluoromethyl)phenyl)-4-(3-(trifluoromethyl)phenyl)piperazine
CID 50925412
1-Benzyl-N-(2-nitrophenyl)piperidin-4-amine
CID 81675
1-Benzyl-4-phenylpiperazine
CID 511484
2-Methyl-1,4-bis[2-(4-nitrophenyl)ethyl]piperazine
CID 60509567
1-(4-Fluorophenyl)-4-(4-nitrophenyl)piperazine
CID 2765094
1-(Cyclohexylmethyl)-4-(4-nitrophenyl)piperazine
CID 2845860
Mls001183678
CID 4011831
1-(3-Methyl-4-nitrophenyl)piperidine
CID 8146215
1-[(3-Nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 947372
1-[(4-Nitrophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 2162901
1-[2-(3-Nitro-phenyl)-ethyl]-4-(3-phenyl-propyl)-piperazine
CID 10338172

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine?
The IUPAC name of 1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine (CID 792266) is 1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine is O=[N+]([O-])c1ccccc1CN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine?
The InChIKey is HDKLJQNQCJBVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-15-5-7-16(8-6-15)20-11-9-19(10-12-20)13-14-3-1-2-4-17(14)21(22)23/h1-8H,9-13H2.
What are the key properties of 1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine?
1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine has a molecular weight of 315.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[(2-nitrophenyl)methyl]piperazine is sourced from PubChem (CID 792266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).