N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide

C12H17N3O2 — CID 43188193

IUPACN'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C12H17N3O2/c13-12(14-17)9-1-3-10(4-2-9)15-7-5-11(16)6-8-15/h1-4,11,16-17H,5-8H2,(H2,13,14)
InChIKeyGHBXOZVGXLKALW-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.74
Rot. Bonds2

About N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide

N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide (PubChem CID 43188193) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
PubChem CID43188193
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide
SMILESN/C(=N\O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C12H17N3O2/c13-12(14-17)9-1-3-10(4-2-9)15-7-5-11(16)6-8-15/h1-4,11,16-17H,5-8H2,(H2,13,14)
InChIKeyGHBXOZVGXLKALW-UHFFFAOYSA-N
XLogP0.74
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 76981328
N'-hydroxy-4-(4-methylazepan-1-yl)benzenecarboximidamide
CID 77001998
N'-hydroxy-4-(4-propylpiperidin-1-yl)benzenecarboximidamide
CID 55050027
4-[4-(4-fluorophenyl)piperazin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 24878688
4-(4-ethylpiperazin-1-yl)-N'-hydroxybenzenecarboximidamide;trihydrochloride
CID 139714848
N'-hydroxy-4-(3-morpholin-4-ylpyrrolidin-1-yl)benzenecarboximidamide
CID 76986915
1-(4-piperidin-1-ylphenyl)piperidin-4-ol
CID 82090298
N'-hydroxy-4-pyrrol-1-ylbenzenecarboximidamide
CID 4018661
tert-butyl 4-[1-[4-(N'-hydroxycarbamimidoyl)phenyl]piperidin-4-yl]piperazine-1-carboxylate
CID 139714818
1-phenylpiperidin-4-ol;dihydrochloride
CID 174840165
4-(N'-hydroxycarbamimidoyl)-N-[(2S)-1-(4-hydroxypiperidin-1-yl)-1-oxopropan-2-yl]benzamide
CID 91584771
4-(2-ethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 54883042

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide (CID 43188193) is N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide is N/C(=N\O)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
The InChIKey is GHBXOZVGXLKALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-12(14-17)9-1-3-10(4-2-9)15-7-5-11(16)6-8-15/h1-4,11,16-17H,5-8H2,(H2,13,14).
What are the key properties of N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide?
N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide has a molecular weight of 235.29 g/mol, XLogP of 0.74, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(4-hydroxypiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 43188193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).