1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride

C10H16BrCl2N3O — CID 127263496

IUPAC1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride
SMILESCOc1nc(N2CCNCC2)ccc1Br.Cl.Cl
InChIInChI=1S/C10H14BrN3O.2ClH/c1-15-10-8(11)2-3-9(13-10)14-6-4-12-5-7-14;;/h2-3,12H,4-7H2,1H3;2*1H
InChIKeyRVVOSHFJXHDLCH-UHFFFAOYSA-N
MW345.07 g/mol
LogP2.11
Rot. Bonds2

About 1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride

1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride (PubChem CID 127263496) has the molecular formula C10H16BrCl2N3O and a molecular weight of 345.07 g/mol. Its IUPAC name is 1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride
PubChem CID127263496
Molecular FormulaC10H16BrCl2N3O
Molecular Weight345.07 g/mol
Exact Mass342.99
IUPAC Name1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride
SMILESCOc1nc(N2CCNCC2)ccc1Br.Cl.Cl
InChIInChI=1S/C10H14BrN3O.2ClH/c1-15-10-8(11)2-3-9(13-10)14-6-4-12-5-7-14;;/h2-3,12H,4-7H2,1H3;2*1H
InChIKeyRVVOSHFJXHDLCH-UHFFFAOYSA-N
XLogP2.11
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.07
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-6-piperazin-1-ylpyridin-3-amine
CID 62137469
1-(5-bromo-6-methoxy-2-pyridinyl)-4-[2-(3,4-dimethoxyphenyl)ethyl]piperazine
CID 69344565
4-[[4-(5-bromo-6-methoxy-2-pyridinyl)piperazin-1-yl]methyl]-2-methylphenol
CID 58588959
2-bromo-6-iodo-3-methoxypyridine;1-(6-bromo-5-methoxy-2-pyridinyl)-4-pyridin-4-ylpiperazine;1-pyridin-4-ylpiperazine
CID 159646472
1-[6-(4-methoxyphenoxy)-2-pyridinyl]piperazine
CID 22640139
CID 59095153
CID 59095153
5-bromo-4-methoxy-N-(2-piperazin-1-ylethyl)pyrimidin-2-amine
CID 106998060
1-(5-bromo-6-methoxy-2-pyridinyl)-3-(4-chlorophenyl)pyrrolidin-2-one
CID 167409974
2-(1,4-diazepan-1-yl)-3-methoxyquinoxaline;hydrochloride
CID 71643070
1-(5-methoxy-2-pyridinyl)-1,4-diazepane
CID 83848456
4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-2-one
CID 103726622
4,8-dimethoxy-2-piperazin-1-ylquinazoline
CID 139659464

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride?
The IUPAC name of 1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride (CID 127263496) is 1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride?
The canonical SMILES for 1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride is COc1nc(N2CCNCC2)ccc1Br.Cl.Cl.
What is the InChIKey of 1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride?
The InChIKey is RVVOSHFJXHDLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O.2ClH/c1-15-10-8(11)2-3-9(13-10)14-6-4-12-5-7-14;;/h2-3,12H,4-7H2,1H3;2*1H.
What are the key properties of 1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride?
1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride has a molecular weight of 345.07 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methoxy-2-pyridinyl)piperazine;dihydrochloride is sourced from PubChem (CID 127263496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).