N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide

C13H19N3O2 — CID 43590319

IUPACN'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1N1CCCC(CO)C1
InChIInChI=1S/C13H19N3O2/c14-13(15-18)11-5-1-2-6-12(11)16-7-3-4-10(8-16)9-17/h1-2,5-6,10,17-18H,3-4,7-9H2,(H2,14,15)
InChIKeyLCTDHEFHLNDYMQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.99
Rot. Bonds3

About N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide

N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide (PubChem CID 43590319) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
PubChem CID43590319
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide
SMILESN/C(=N\O)c1ccccc1N1CCCC(CO)C1
InChIInChI=1S/C13H19N3O2/c14-13(15-18)11-5-1-2-6-12(11)16-7-3-4-10(8-16)9-17/h1-2,5-6,10,17-18H,3-4,7-9H2,(H2,14,15)
InChIKeyLCTDHEFHLNDYMQ-UHFFFAOYSA-N
XLogP0.99
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
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

N'-hydroxy-2-[3-(2-hydroxyethyl)piperidin-1-yl]benzenecarboximidamide
CID 107227549
[1-(2-aminophenyl)piperidin-3-yl]methanol
CID 43590222
[1-(2-methylphenyl)piperidin-3-yl]methanol
CID 117026126
N'-hydroxy-2-(3-hydroxy-4-methylpiperidin-1-yl)benzenecarboximidamide
CID 102958200
5-chloro-2-(3-ethylpiperidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 55078907
2-(3,4-dimethylpyrrolidin-1-yl)-N'-hydroxybenzenecarboximidamide
CID 79189095
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboximidamide
CID 43590323
2-[3-(methoxymethyl)piperidin-1-yl]benzenecarbothioamide
CID 106586934
N'-hydroxy-2-[4-(2-hydroxyethoxy)piperidin-1-yl]benzenecarboximidamide
CID 82696609
N'-hydroxy-2-(1,4-oxazepan-4-yl)benzenecarboximidamide
CID 55154278
[(3R)-1-(2-nitrophenyl)piperidin-3-yl]methanol
CID 33291102
N'-hydroxy-2-(4-propylpiperazin-1-yl)benzenecarboximidamide
CID 43199964

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide?
The IUPAC name of N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide (CID 43590319) is N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide is N/C(=N\O)c1ccccc1N1CCCC(CO)C1.
What is the InChIKey of N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide?
The InChIKey is LCTDHEFHLNDYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c14-13(15-18)11-5-1-2-6-12(11)16-7-3-4-10(8-16)9-17/h1-2,5-6,10,17-18H,3-4,7-9H2,(H2,14,15).
What are the key properties of N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide?
N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide has a molecular weight of 249.31 g/mol, XLogP of 0.99, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]benzenecarboximidamide is sourced from PubChem (CID 43590319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).