N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide

C12H19N5O — CID 24690721

IUPACN'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
SMILESN/C(CCN1CCN(c2ccccn2)CC1)=N\O
InChIInChI=1S/C12H19N5O/c13-11(15-18)4-6-16-7-9-17(10-8-16)12-3-1-2-5-14-12/h1-3,5,18H,4,6-10H2,(H2,13,15)
InChIKeyZWGNZLIBBDOWRT-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.34
Rot. Bonds4

About N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide

N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide (PubChem CID 24690721) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
PubChem CID24690721
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC NameN'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide
SMILESN/C(CCN1CCN(c2ccccn2)CC1)=N\O
InChIInChI=1S/C12H19N5O/c13-11(15-18)4-6-16-7-9-17(10-8-16)12-3-1-2-5-14-12/h1-3,5,18H,4,6-10H2,(H2,13,15)
InChIKeyZWGNZLIBBDOWRT-UHFFFAOYSA-N
XLogP0.34
TPSA77.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.34
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

3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine;tetrahydrochloride
CID 23627586
3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-amine
CID 14854856
1-(2-bromoethyl)-4-pyridin-2-ylpiperazine
CID 61288555
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
(NE)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)butylidene]hydroxylamine
CID 11849818
3-[4-[(3E)-3-amino-3-hydroxyiminopropyl]piperazin-1-yl]-N'-hydroxypropanimidamide
CID 87231403
7-(4-pyridin-2-ylpiperazin-1-yl)heptan-1-amine
CID 28598378
1-(5-chloropentyl)-4-pyridin-2-ylpiperazine
CID 61288750
(NZ)-N-[1-(4-fluorophenyl)-4-(4-pyridin-2-yl-1,4-diazepan-1-yl)butylidene]hydroxylamine
CID 155561279
N-methoxy-1-(2-methylphenyl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-imine
CID 72966378

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide (CID 24690721) is N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide is N/C(CCN1CCN(c2ccccn2)CC1)=N\O.
What is the InChIKey of N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide?
The InChIKey is ZWGNZLIBBDOWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-11(15-18)4-6-16-7-9-17(10-8-16)12-3-1-2-5-14-12/h1-3,5,18H,4,6-10H2,(H2,13,15).
What are the key properties of N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide?
N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide has a molecular weight of 249.32 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propanimidamide is sourced from PubChem (CID 24690721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).