1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride

C16H18BrCl2N3 — CID 120768777

IUPAC1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCN1Cc1cncc(Br)c1
InChIInChI=1S/C16H17BrClN3.ClH/c17-13-7-12(8-20-9-13)11-21-6-5-19-10-16(21)14-3-1-2-4-15(14)18;/h1-4,7-9,16,19H,5-6,10-11H2;1H
InChIKeyRKMKVFCFAKTLML-UHFFFAOYSA-N
MW403.15 g/mol
LogP4.07
Rot. Bonds3

About 1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride

1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride (PubChem CID 120768777) has the molecular formula C16H18BrCl2N3 and a molecular weight of 403.15 g/mol. Its IUPAC name is 1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride
PubChem CID120768777
Molecular FormulaC16H18BrCl2N3
Molecular Weight403.15 g/mol
Exact Mass401.01
IUPAC Name1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride
SMILESCl.Clc1ccccc1C1CNCCN1Cc1cncc(Br)c1
InChIInChI=1S/C16H17BrClN3.ClH/c17-13-7-12(8-20-9-13)11-21-6-5-19-10-16(21)14-3-1-2-4-15(14)18;/h1-4,7-9,16,19H,5-6,10-11H2;1H
InChIKeyRKMKVFCFAKTLML-UHFFFAOYSA-N
XLogP4.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.15
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 120768884
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
2-(2-chlorophenyl)-1-(pyridin-2-ylmethyl)piperazine
CID 120768964
2-(2-chlorophenyl)-1-[(2-methylpyrazol-3-yl)methyl]piperazine
CID 120768956
2-(3-chlorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120780146
N-[4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]phenyl]acetamide;hydrochloride
CID 120768769
2-(2-chlorophenyl)-1-[(3-pyridin-3-yl-1H-pyrazol-5-yl)methyl]piperazine;hydrochloride
CID 120768945
2-(2-chlorophenyl)-1-[[1-(2-methoxyethyl)pyrazol-4-yl]methyl]piperazine
CID 120768834
4-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole;dihydrochloride
CID 120757491
2-(2-chlorophenyl)-1-[(1-propan-2-ylpyrazol-3-yl)methyl]piperazine;hydrochloride
CID 120757443
2-(2-chlorophenyl)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperazine;hydrochloride
CID 120768961
5-[[2-(2-chlorophenyl)piperazin-1-yl]methyl]-3-phenyl-1,2,4-oxadiazole;hydrochloride
CID 120757781

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride?
The IUPAC name of 1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride (CID 120768777) is 1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride is Cl.Clc1ccccc1C1CNCCN1Cc1cncc(Br)c1.
What is the InChIKey of 1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride?
The InChIKey is RKMKVFCFAKTLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClN3.ClH/c17-13-7-12(8-20-9-13)11-21-6-5-19-10-16(21)14-3-1-2-4-15(14)18;/h1-4,7-9,16,19H,5-6,10-11H2;1H.
What are the key properties of 1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride?
1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride has a molecular weight of 403.15 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-3-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine;hydrochloride is sourced from PubChem (CID 120768777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).