1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine

C15H16BrClN4 — CID 133465721

IUPAC1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine
SMILESClc1ccc(CN2CCN(c3cncc(Br)c3)CC2)nc1
InChIInChI=1S/C15H16BrClN4/c16-12-7-15(10-18-8-12)21-5-3-20(4-6-21)11-14-2-1-13(17)9-19-14/h1-2,7-10H,3-6,11H2
InChIKeyUQINXWXYXLCLAE-UHFFFAOYSA-N
MW367.68 g/mol
LogP3.21
Rot. Bonds3

About 1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine

1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine (PubChem CID 133465721) has the molecular formula C15H16BrClN4 and a molecular weight of 367.68 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine
PubChem CID133465721
Molecular FormulaC15H16BrClN4
Molecular Weight367.68 g/mol
Exact Mass366.02
IUPAC Name1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine
SMILESClc1ccc(CN2CCN(c3cncc(Br)c3)CC2)nc1
InChIInChI=1S/C15H16BrClN4/c16-12-7-15(10-18-8-12)21-5-3-20(4-6-21)11-14-2-1-13(17)9-19-14/h1-2,7-10H,3-6,11H2
InChIKeyUQINXWXYXLCLAE-UHFFFAOYSA-N
XLogP3.21
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.68
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-bromo-3-pyridinyl)-4-(4-chlorophenyl)piperazine
CID 115657257
1-(5-bromo-3-pyridinyl)-4-propylpiperazine
CID 115657003
1-(5-bromo-3-pyridinyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 112695175
2-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-3-methylquinoxaline
CID 133465607
2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine
CID 103054050
1-[(5-chloro-2-pyridinyl)methyl]-4-(6-methyl-2-pyridinyl)piperazine
CID 75498823
5-bromo-2-[4-[(5-bromo-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 133302563
1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine
CID 175660028
1-[(5-chloro-2-pyridinyl)methyl]-4-[3-(trifluoromethyl)-2-pyridinyl]piperazine
CID 133465598
1-[(5-chloro-2-pyridinyl)methyl]-4-(3-ethoxy-4-nitrophenyl)piperazine
CID 133465587
5-chloro-4-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methoxypyrimidine
CID 133465592
1-[(5-bromo-2-pyridinyl)methyl]-4-(4-nitrophenyl)piperazine
CID 133302553

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine (CID 133465721) is 1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine is Clc1ccc(CN2CCN(c3cncc(Br)c3)CC2)nc1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine?
The InChIKey is UQINXWXYXLCLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN4/c16-12-7-15(10-18-8-12)21-5-3-20(4-6-21)11-14-2-1-13(17)9-19-14/h1-2,7-10H,3-6,11H2.
What are the key properties of 1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine?
1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine has a molecular weight of 367.68 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-4-[(5-chloro-2-pyridinyl)methyl]piperazine is sourced from PubChem (CID 133465721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).