N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide

C13H19N3O2 — CID 81278183

IUPACN'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide
SMILESCc1cc(N2CCCC(O)C2)ccc1/C(N)=N/O
InChIInChI=1S/C13H19N3O2/c1-9-7-10(4-5-12(9)13(14)15-18)16-6-2-3-11(17)8-16/h4-5,7,11,17-18H,2-3,6,8H2,1H3,(H2,14,15)
InChIKeyCWWRZXAQWNAMCQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.05
Rot. Bonds2

About N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide

N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide (PubChem CID 81278183) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide
PubChem CID81278183
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide
SMILESCc1cc(N2CCCC(O)C2)ccc1/C(N)=N/O
InChIInChI=1S/C13H19N3O2/c1-9-7-10(4-5-12(9)13(14)15-18)16-6-2-3-11(17)8-16/h4-5,7,11,17-18H,2-3,6,8H2,1H3,(H2,14,15)
InChIKeyCWWRZXAQWNAMCQ-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
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-2-methyl-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 81273838
4-(4,4-dimethylazepan-1-yl)-N'-hydroxy-2-methylbenzenecarboximidamide
CID 81277739
1-(4-amino-3-methylphenyl)piperidin-3-ol
CID 43502899
N'-hydroxy-2-methyl-4-(2-methylpyrrolidin-1-yl)benzenecarboximidamide
CID 81277575
1-(4-bromo-3-methylphenyl)piperidin-3-ol
CID 117012803
N'-hydroxy-4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzenecarboximidamide
CID 81278035
N'-hydroxy-5-(3-hydroxypiperidin-1-yl)pyridine-2-carboximidamide
CID 136990546
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)benzenecarboximidamide
CID 76981328
N'-hydroxy-2-methyl-4-(4-methylsulfonylpiperazin-1-yl)benzenecarboximidamide
CID 81273727
2-bromo-N'-hydroxy-4-(4-propan-2-ylazepan-1-yl)benzenecarboximidamide
CID 107278750
2-bromo-N'-hydroxy-4-(4-hydroxy-3-methylpiperidin-1-yl)benzenecarboximidamide
CID 107278827
N'-hydroxy-2-(3-hydroxypiperidin-1-yl)pyridine-4-carboximidamide
CID 136924688

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide?
The IUPAC name of N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide (CID 81278183) is N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide?
The canonical SMILES for N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide is Cc1cc(N2CCCC(O)C2)ccc1/C(N)=N/O.
What is the InChIKey of N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide?
The InChIKey is CWWRZXAQWNAMCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-7-10(4-5-12(9)13(14)15-18)16-6-2-3-11(17)8-16/h4-5,7,11,17-18H,2-3,6,8H2,1H3,(H2,14,15).
What are the key properties of N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide?
N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide has a molecular weight of 249.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-hydroxypiperidin-1-yl)-2-methylbenzenecarboximidamide is sourced from PubChem (CID 81278183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).