1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine

C15H15BrClN3 — CID 63960873

IUPAC1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine
SMILESClc1cccc(N2CCN(c3cccc(Br)n3)CC2)c1
InChIInChI=1S/C15H15BrClN3/c16-14-5-2-6-15(18-14)20-9-7-19(8-10-20)13-4-1-3-12(17)11-13/h1-6,11H,7-10H2
InChIKeyAZIRGXYRXYPOGU-UHFFFAOYSA-N
MW352.66 g/mol
LogP3.82
Rot. Bonds2

About 1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine

1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine (PubChem CID 63960873) has the molecular formula C15H15BrClN3 and a molecular weight of 352.66 g/mol. Its IUPAC name is 1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine
PubChem CID63960873
Molecular FormulaC15H15BrClN3
Molecular Weight352.66 g/mol
Exact Mass351.01
IUPAC Name1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine
SMILESClc1cccc(N2CCN(c3cccc(Br)n3)CC2)c1
InChIInChI=1S/C15H15BrClN3/c16-14-5-2-6-15(18-14)20-9-7-19(8-10-20)13-4-1-3-12(17)11-13/h1-6,11H,7-10H2
InChIKeyAZIRGXYRXYPOGU-UHFFFAOYSA-N
XLogP3.82
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.66
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)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

4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112724317
3-chloro-6-[4-(3-chlorophenyl)piperazin-1-yl]pyridine-2-carbonitrile
CID 133282877
6-[4-(3-chlorophenyl)piperazin-1-yl]pyrazin-2-amine
CID 78988842
1-(3-chlorophenyl)azonane
CID 145391535
1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 105367643
1-[5-(chloromethyl)-2-pyridinyl]-4-(3-chlorophenyl)piperazine
CID 61256997
3-[4-(3-chlorophenyl)piperazin-1-yl]-5-(4-methylpiperazin-1-yl)-1,2,4-triazine
CID 112945819
1-(3-chlorophenyl)-4-(trifluoromethyl)piperazine
CID 174396621
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyrimidin-4-yl]hydrazine
CID 80909400
1-(3-chlorophenyl)-4-methyl-1,4-diazepane
CID 141138557
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-2-amine
CID 112890706

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine?
The IUPAC name of 1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine (CID 63960873) is 1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine.
What is the SMILES notation for 1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine?
The canonical SMILES for 1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine is Clc1cccc(N2CCN(c3cccc(Br)n3)CC2)c1.
What is the InChIKey of 1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine?
The InChIKey is AZIRGXYRXYPOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClN3/c16-14-5-2-6-15(18-14)20-9-7-19(8-10-20)13-4-1-3-12(17)11-13/h1-6,11H,7-10H2.
What are the key properties of 1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine?
1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine has a molecular weight of 352.66 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2-pyridinyl)-4-(3-chlorophenyl)piperazine is sourced from PubChem (CID 63960873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).