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

C17H21BrClN3O — CID 120767381

IUPAC1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1ccc(Br)cn1.Cl
InChIInChI=1S/C17H20BrN3O.ClH/c1-22-17-5-3-2-4-15(17)16-11-19-8-9-21(16)12-14-7-6-13(18)10-20-14;/h2-7,10,16,19H,8-9,11-12H2,1H3;1H
InChIKeyCAOQCLJBVFSMAT-UHFFFAOYSA-N
MW398.73 g/mol
LogP3.42
Rot. Bonds4

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

1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride (PubChem CID 120767381) has the molecular formula C17H21BrClN3O and a molecular weight of 398.73 g/mol. Its IUPAC name is 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
PubChem CID120767381
Molecular FormulaC17H21BrClN3O
Molecular Weight398.73 g/mol
Exact Mass397.06
IUPAC Name1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1ccc(Br)cn1.Cl
InChIInChI=1S/C17H20BrN3O.ClH/c1-22-17-5-3-2-4-15(17)16-11-19-8-9-21(16)12-14-7-6-13(18)10-20-14;/h2-7,10,16,19H,8-9,11-12H2,1H3;1H
InChIKeyCAOQCLJBVFSMAT-UHFFFAOYSA-N
XLogP3.42
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.73
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-chlorophenyl)piperazine
CID 120768822
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
2-(2-methoxyphenyl)-1-[(1-methylimidazol-2-yl)methyl]piperazine;hydrochloride
CID 120767521
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 120767508
2-(2-methoxyphenyl)-1-[(2-phenyltriazol-4-yl)methyl]piperazine
CID 120753605
2-(2-methoxyphenyl)-1-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazine;hydrochloride
CID 120767617
2-[[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 124943474
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
5-ethyl-2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 120767480

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
The IUPAC name of 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride (CID 120767381) is 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride.
What is the SMILES notation for 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
The canonical SMILES for 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride is COc1ccccc1C1CNCCN1Cc1ccc(Br)cn1.Cl.
What is the InChIKey of 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
The InChIKey is CAOQCLJBVFSMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3O.ClH/c1-22-17-5-3-2-4-15(17)16-11-19-8-9-21(16)12-14-7-6-13(18)10-20-14;/h2-7,10,16,19H,8-9,11-12H2,1H3;1H.
What are the key properties of 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride?
1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride has a molecular weight of 398.73 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-pyridinyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride is sourced from PubChem (CID 120767381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).