1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine

C15H14BrCl2N3 — CID 114836681

IUPAC1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(c3ncc(Cl)cc3Br)CC2)cc1
InChIInChI=1S/C15H14BrCl2N3/c16-14-9-12(18)10-19-15(14)21-7-5-20(6-8-21)13-3-1-11(17)2-4-13/h1-4,9-10H,5-8H2
InChIKeyYTSNSCQXIAITFR-UHFFFAOYSA-N
MW387.11 g/mol
LogP4.48
Rot. Bonds2

About 1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine

1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine (PubChem CID 114836681) has the molecular formula C15H14BrCl2N3 and a molecular weight of 387.11 g/mol. Its IUPAC name is 1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine
PubChem CID114836681
Molecular FormulaC15H14BrCl2N3
Molecular Weight387.11 g/mol
Exact Mass384.97
IUPAC Name1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(c3ncc(Cl)cc3Br)CC2)cc1
InChIInChI=1S/C15H14BrCl2N3/c16-14-9-12(18)10-19-15(14)21-7-5-20(6-8-21)13-3-1-11(17)2-4-13/h1-4,9-10H,5-8H2
InChIKeyYTSNSCQXIAITFR-UHFFFAOYSA-N
XLogP4.48
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.11
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-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

3-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]aniline
CID 114836432
1-(3-bromo-5-chloro-2-pyridinyl)-4-propan-2-ylpiperazine
CID 114836752
5-bromo-2-chloro-4-[4-(4-chlorophenyl)piperazin-1-yl]pyrimidine
CID 79076229
4-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]phenol
CID 4822698
2-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]-4-methylpyrimidine
CID 166601863
6-[4-(3-bromo-5-chloro-2-pyridinyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 167767188
2-[1-(3-bromo-5-chloro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 114836313
1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 115657257
1-(3-bromo-5-methyl-2-pyridinyl)-4-(3-chlorophenyl)piperazine
CID 105367643
1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-amine
CID 114836322
1-(3-bromo-5-chloro-2-pyridinyl)-4-methylazepan-4-ol
CID 107407312
[1-(3-bromo-5-chloro-2-pyridinyl)-4-methylpiperidin-4-yl]methanol
CID 100693917

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine?
The IUPAC name of 1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine (CID 114836681) is 1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine.
What is the SMILES notation for 1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine?
The canonical SMILES for 1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine is Clc1ccc(N2CCN(c3ncc(Cl)cc3Br)CC2)cc1.
What is the InChIKey of 1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine?
The InChIKey is YTSNSCQXIAITFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrCl2N3/c16-14-9-12(18)10-19-15(14)21-7-5-20(6-8-21)13-3-1-11(17)2-4-13/h1-4,9-10H,5-8H2.
What are the key properties of 1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine?
1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine has a molecular weight of 387.11 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-chloro-2-pyridinyl)-4-(4-chlorophenyl)piperazine is sourced from PubChem (CID 114836681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).