2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide

C14H22BrN5O — CID 104776692

IUPAC2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide
SMILESCCCC(/C(N)=N/O)N1CCN(c2ccncc2Br)CC1
InChIInChI=1S/C14H22BrN5O/c1-2-3-13(14(16)18-21)20-8-6-19(7-9-20)12-4-5-17-10-11(12)15/h4-5,10,13,21H,2-3,6-9H2,1H3,(H2,16,18)
InChIKeyAELFPHBLABUQAX-UHFFFAOYSA-N
MW356.27 g/mol
LogP1.88
Rot. Bonds5

About 2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide

2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide (PubChem CID 104776692) has the molecular formula C14H22BrN5O and a molecular weight of 356.27 g/mol. Its IUPAC name is 2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide
PubChem CID104776692
Molecular FormulaC14H22BrN5O
Molecular Weight356.27 g/mol
Exact Mass355.10
IUPAC Name2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide
SMILESCCCC(/C(N)=N/O)N1CCN(c2ccncc2Br)CC1
InChIInChI=1S/C14H22BrN5O/c1-2-3-13(14(16)18-21)20-8-6-19(7-9-20)12-4-5-17-10-11(12)15/h4-5,10,13,21H,2-3,6-9H2,1H3,(H2,16,18)
InChIKeyAELFPHBLABUQAX-UHFFFAOYSA-N
XLogP1.88
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 51.88
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

N'-hydroxy-2-(4-pyrazin-2-ylpiperazin-1-yl)pentanimidamide
CID 77012355
2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 105369063
N'-hydroxy-2-(4-methylpiperazin-1-yl)pentanimidamide
CID 77012111
2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide
CID 62900431
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 104779258
2-[4-(3-chloro-4-pyridinyl)piperazin-1-yl]butanethioamide
CID 79840320
2-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 106875388
N'-hydroxy-2-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]pentanimidamide
CID 77012746
3-bromo-4-(3,6-dihydro-2H-pyridin-1-yl)pyridine
CID 114412429
N'-hydroxy-2-[4-(thiophen-3-ylmethyl)piperazin-1-yl]pentanimidamide
CID 77012125
3-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]propan-1-amine
CID 104776533
2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-N'-hydroxybutanimidamide
CID 77012258

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
The IUPAC name of 2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide (CID 104776692) is 2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide.
What is the SMILES notation for 2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
The canonical SMILES for 2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide is CCCC(/C(N)=N/O)N1CCN(c2ccncc2Br)CC1.
What is the InChIKey of 2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
The InChIKey is AELFPHBLABUQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN5O/c1-2-3-13(14(16)18-21)20-8-6-19(7-9-20)12-4-5-17-10-11(12)15/h4-5,10,13,21H,2-3,6-9H2,1H3,(H2,16,18).
What are the key properties of 2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide?
2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide has a molecular weight of 356.27 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-bromo-4-pyridinyl)piperazin-1-yl]-N'-hydroxypentanimidamide is sourced from PubChem (CID 104776692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).