N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide

C14H19N3O3 — CID 81108849

IUPACN'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
SMILESCC1(O)CCN(C(=O)c2cccc(/C(N)=N/O)c2)CC1
InChIInChI=1S/C14H19N3O3/c1-14(19)5-7-17(8-6-14)13(18)11-4-2-3-10(9-11)12(15)16-20/h2-4,9,19-20H,5-8H2,1H3,(H2,15,16)
InChIKeySSQROTMGCOGVPA-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.77
Rot. Bonds2

About N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide

N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide (PubChem CID 81108849) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
PubChem CID81108849
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
SMILESCC1(O)CCN(C(=O)c2cccc(/C(N)=N/O)c2)CC1
InChIInChI=1S/C14H19N3O3/c1-14(19)5-7-17(8-6-14)13(18)11-4-2-3-10(9-11)12(15)16-20/h2-4,9,19-20H,5-8H2,1H3,(H2,15,16)
InChIKeySSQROTMGCOGVPA-UHFFFAOYSA-N
XLogP0.77
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.77
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

(3-aminophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81095901
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxyphenyl)methanone
CID 81097779
3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43581926
3-(2,2-dimethylmorpholine-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43593165
3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333169
N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide
CID 43156169
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide
CID 104959807
(4-hydroxy-4-methylpiperidin-1-yl)-(3-propan-2-yloxyphenyl)methanone
CID 81103143
1-(3-fluorobenzoyl)-N'-hydroxy-4-methylpiperidine-4-carboximidamide
CID 107162552
(3,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103957511
(4-hydroxy-4-methylazepan-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 107406050
(3,4-dichlorophenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 80707064

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide (CID 81108849) is N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide is CC1(O)CCN(C(=O)c2cccc(/C(N)=N/O)c2)CC1.
What is the InChIKey of N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide?
The InChIKey is SSQROTMGCOGVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(19)5-7-17(8-6-14)13(18)11-4-2-3-10(9-11)12(15)16-20/h2-4,9,19-20H,5-8H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide?
N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide has a molecular weight of 277.32 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide is sourced from PubChem (CID 81108849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).