2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide

C12H18BrN5O — CID 114869111

IUPAC2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCc1cc(N2CCN(C/C(N)=N/O)CC2)ncc1Br
InChIInChI=1S/C12H18BrN5O/c1-9-6-12(15-7-10(9)13)18-4-2-17(3-5-18)8-11(14)16-19/h6-7,19H,2-5,8H2,1H3,(H2,14,16)
InChIKeyRPSFVZBJHWIZIM-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.02
Rot. Bonds3

About 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 114869111) has the molecular formula C12H18BrN5O and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID114869111
Molecular FormulaC12H18BrN5O
Molecular Weight328.21 g/mol
Exact Mass327.07
IUPAC Name2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCc1cc(N2CCN(C/C(N)=N/O)CC2)ncc1Br
InChIInChI=1S/C12H18BrN5O/c1-9-6-12(15-7-10(9)13)18-4-2-17(3-5-18)8-11(14)16-19/h6-7,19H,2-5,8H2,1H3,(H2,14,16)
InChIKeyRPSFVZBJHWIZIM-UHFFFAOYSA-N
XLogP1.02
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-4-methyl-2-pyridinyl)-4-ethylpiperazine
CID 115773789
1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 115773841
1-(5-bromo-4-methyl-2-pyridinyl)-4-propylpiperazine
CID 115773969
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-2-methylpropan-1-amine
CID 114868973
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
4-(5-bromo-4-methyl-2-pyridinyl)thiomorpholine
CID 115773933
1-(5-bromo-4-methyl-2-pyridinyl)-4-pyridin-2-ylpiperazine
CID 115773812
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]aniline
CID 114869657
2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]-N'-hydroxyethanimidamide
CID 77053306
4-(5-bromo-4-methyl-2-pyridinyl)-1,4-thiazinane 1-oxide
CID 115774067
1-(5-bromo-4-methyl-2-pyridinyl)-4,4-dimethylazepane
CID 114870455
1-(5-bromo-4-methyl-2-pyridinyl)-4-(4-fluorophenyl)piperazine
CID 115773799

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide (CID 114869111) is 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide is Cc1cc(N2CCN(C/C(N)=N/O)CC2)ncc1Br.
What is the InChIKey of 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is RPSFVZBJHWIZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN5O/c1-9-6-12(15-7-10(9)13)18-4-2-17(3-5-18)8-11(14)16-19/h6-7,19H,2-5,8H2,1H3,(H2,14,16).
What are the key properties of 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 328.21 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 114869111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).