N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide

C13H19N3O2 — CID 102958200

IUPACN'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
SMILESCC1CCN(c2ccccc2/C(N)=N/O)CC1O
InChIInChI=1S/C13H19N3O2/c1-9-6-7-16(8-12(9)17)11-5-3-2-4-10(11)13(14)15-18/h2-5,9,12,17-18H,6-8H2,1H3,(H2,14,15)
InChIKeyBFJKFFDQLJGSGM-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.99
Rot. Bonds2

About N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide

N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide (PubChem CID 102958200) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
PubChem CID102958200
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
SMILESCC1CCN(c2ccccc2/C(N)=N/O)CC1O
InChIInChI=1S/C13H19N3O2/c1-9-6-7-16(8-12(9)17)11-5-3-2-4-10(11)13(14)15-18/h2-5,9,12,17-18H,6-8H2,1H3,(H2,14,15)
InChIKeyBFJKFFDQLJGSGM-UHFFFAOYSA-N
XLogP0.99
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.99
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

2-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 79189095
2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid
CID 102958633
N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)-5-nitrobenzenecarboximidamide
CID 102958217
2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-N'-hydroxybenzenecarboximidamide
CID 81464986
N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
CID 43590319
4-chloro-N'-hydroxy-2-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 114678753
N'-hydroxy-2-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227549
N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 82696609
4-methyl-1-(2-methylsulfonylphenyl)piperidin-3-ol
CID 103896232
5-fluoro-N'-hydroxy-2-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 77004386
2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]benzoic acid
CID 129394712
N'-hydroxy-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 43199964

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide (CID 102958200) is N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide is CC1CCN(c2ccccc2/C(N)=N/O)CC1O.
What is the InChIKey of N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide?
The InChIKey is BFJKFFDQLJGSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-6-7-16(8-12(9)17)11-5-3-2-4-10(11)13(14)15-18/h2-5,9,12,17-18H,6-8H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide?
N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide has a molecular weight of 249.31 g/mol, XLogP of 0.99, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide is sourced from PubChem (CID 102958200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).