1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine

C16H17BrClN3 — CID 120768822

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
SMILESClc1ccccc1C1CNCCN1Cc1ccc(Br)cn1
InChIInChI=1S/C16H17BrClN3/c17-12-5-6-13(20-9-12)11-21-8-7-19-10-16(21)14-3-1-2-4-15(14)18/h1-6,9,16,19H,7-8,10-11H2
InChIKeyVVJIVYRNCUZOGL-UHFFFAOYSA-N
MW366.69 g/mol
LogP3.64
Rot. Bonds3

About 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine

1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine (PubChem CID 120768822) has the molecular formula C16H17BrClN3 and a molecular weight of 366.69 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
PubChem CID120768822
Molecular FormulaC16H17BrClN3
Molecular Weight366.69 g/mol
Exact Mass365.03
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
SMILESClc1ccccc1C1CNCCN1Cc1ccc(Br)cn1
InChIInChI=1S/C16H17BrClN3/c17-12-5-6-13(20-9-12)11-21-8-7-19-10-16(21)14-3-1-2-4-15(14)18/h1-6,9,16,19H,7-8,10-11H2
InChIKeyVVJIVYRNCUZOGL-UHFFFAOYSA-N
XLogP3.64
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767381
1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride
CID 120768777
2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
CID 120757443
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 120768960
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-cyclopropyl-1,3-thiazole;hydrochloride
CID 120768875
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyridin-2-yl-1,3-thiazole;hydrochloride
CID 120768801
3-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 120768922

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine (CID 120768822) is 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine is Clc1ccccc1C1CNCCN1Cc1ccc(Br)cn1.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine?
The InChIKey is VVJIVYRNCUZOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN3/c17-12-5-6-13(20-9-12)11-21-8-7-19-10-16(21)14-3-1-2-4-15(14)18/h1-6,9,16,19H,7-8,10-11H2.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine?
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine has a molecular weight of 366.69 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine is sourced from PubChem (CID 120768822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).