N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide

C14H19N3O3 — CID 43156169

IUPACN'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide
SMILESN/C(=N\O)c1cccc(C(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C14H19N3O3/c15-13(16-20)11-2-1-3-12(8-11)14(19)17-6-4-10(9-18)5-7-17/h1-3,8,10,18,20H,4-7,9H2,(H2,15,16)
InChIKeyPZLZRZFXJFDKDV-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.63
Rot. Bonds3

About N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide

N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide (PubChem CID 43156169) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide
PubChem CID43156169
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide
SMILESN/C(=N\O)c1cccc(C(=O)N2CCC(CO)CC2)c1
InChIInChI=1S/C14H19N3O3/c15-13(16-20)11-2-1-3-12(8-11)14(19)17-6-4-10(9-18)5-7-17/h1-3,8,10,18,20H,4-7,9H2,(H2,15,16)
InChIKeyPZLZRZFXJFDKDV-UHFFFAOYSA-N
XLogP0.63
TPSA99.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.63
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

[4-(hydroxymethyl)piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 43133362
3-(1,1-dioxo-1,4-thiazinane-4-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43581926
N'-hydroxy-3-(3-methoxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 102963396
3-(3,5-dimethylpiperidine-1-carbonyl)-N'-hydroxybenzenecarboximidamide
CID 43333169
N'-hydroxy-3-(4-hydroxy-4-methylpiperidine-1-carbonyl)benzenecarboximidamide
CID 81108849
N'-hydroxy-3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]benzenecarboximidamide
CID 76944197
[3-(3-aminoprop-1-ynyl)phenyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 60821900
3-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-N'-hydroxybenzenecarboximidamide
CID 104959807
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
(3-amino-4-bromophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 61092791
(3-amino-4-chlorophenyl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43133119
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-iodophenyl)methanone
CID 62371120

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide (CID 43156169) is N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide is N/C(=N\O)c1cccc(C(=O)N2CCC(CO)CC2)c1.
What is the InChIKey of N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide?
The InChIKey is PZLZRZFXJFDKDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-13(16-20)11-2-1-3-12(8-11)14(19)17-6-4-10(9-18)5-7-17/h1-3,8,10,18,20H,4-7,9H2,(H2,15,16).
What are the key properties of N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide?
N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide has a molecular weight of 277.32 g/mol, XLogP of 0.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(hydroxymethyl)piperidine-1-carbonyl]benzenecarboximidamide is sourced from PubChem (CID 43156169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).