N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide

C9H19N3O2 — CID 106587060

IUPACN'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide
SMILESCOCC1CCCN(CC(N)=NO)C1
InChIInChI=1S/C9H19N3O2/c1-14-7-8-3-2-4-12(5-8)6-9(10)11-13/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyBYKOQDNTKLIEAL-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.09
Rot. Bonds4

About N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide

N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide (PubChem CID 106587060) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide
PubChem CID106587060
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide
SMILESCOCC1CCCN(CC(N)=NO)C1
InChIInChI=1S/C9H19N3O2/c1-14-7-8-3-2-4-12(5-8)6-9(10)11-13/h8,13H,2-7H2,1H3,(H2,10,11)
InChIKeyBYKOQDNTKLIEAL-UHFFFAOYSA-N
XLogP0.09
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.09
H-Bond Donors ≤ 52
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-(methoxymethyl)piperidin-1-yl]ethanimidamide
CID 121201414
N'-hydroxy-4-[3-(methoxymethyl)piperidin-1-yl]butanimidamide
CID 106587066
N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 106587061
N'-hydroxy-2-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]ethanimidamide
CID 129393091
N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
CID 129381008
4-[3-(methoxymethyl)piperidin-1-yl]-3-methylbut-2-enoic acid
CID 106587562
2-[3-(methoxymethyl)piperidin-1-yl]-1-(2,4,5-trimethylphenyl)ethanone
CID 106587762
N'-amino-3-(methoxymethyl)piperidine-1-carboximidamide
CID 106587306
4-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylbutanethioamide
CID 106586975
2-[(3S)-3-fluoropyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129494574
2-[(3R,4R)-3,4-dimethoxypyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129414353
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide (CID 106587060) is N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide is COCC1CCCN(CC(N)=NO)C1.
What is the InChIKey of N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide?
The InChIKey is BYKOQDNTKLIEAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-14-7-8-3-2-4-12(5-8)6-9(10)11-13/h8,13H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide?
N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide has a molecular weight of 201.27 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[3-(methoxymethyl)piperidin-1-yl]ethanimidamide is sourced from PubChem (CID 106587060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).