2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide

C13H20N4O2 — CID 54985539

IUPAC2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESCCOC1CCCN(c2ncccc2/C(N)=N/O)C1
InChIInChI=1S/C13H20N4O2/c1-2-19-10-5-4-8-17(9-10)13-11(12(14)16-18)6-3-7-15-13/h3,6-7,10,18H,2,4-5,8-9H2,1H3,(H2,14,16)
InChIKeySAYLIDCOOLUDPX-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.18
Rot. Bonds4

About 2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide

2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide (PubChem CID 54985539) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
PubChem CID54985539
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide
SMILESCCOC1CCCN(c2ncccc2/C(N)=N/O)C1
InChIInChI=1S/C13H20N4O2/c1-2-19-10-5-4-8-17(9-10)13-11(12(14)16-18)6-3-7-15-13/h3,6-7,10,18H,2,4-5,8-9H2,1H3,(H2,14,16)
InChIKeySAYLIDCOOLUDPX-UHFFFAOYSA-N
XLogP1.18
TPSA83.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methylpiperidin-1-yl)pyridine-3-carboximidamide
CID 24698019
2-[2-(3-ethoxypiperidin-1-yl)-3-pyridinyl]ethanamine
CID 114057439
2-(3-ethoxypiperidin-1-yl)-3-nitropyridine
CID 133274264
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N'-hydroxypyridine-3-carboximidamide
CID 76904193
[3-(3-ethoxypiperidin-1-yl)pyrazin-2-yl]methanamine
CID 62673049
2-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
CID 24692564
2-(2,6-dimethylthiomorpholin-4-yl)-N'-hydroxypyridine-3-carboximidamide
CID 77020684
3-[(3-ethoxypiperidin-1-yl)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107116507
N'-hydroxy-2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]pyridine-3-carboximidamide
CID 107223209
N'-hydroxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carboximidamide
CID 24693412
N'-hydroxy-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridine-3-carboximidamide
CID 79937813
2-(2-azabicyclo[2.2.1]heptan-2-yl)-N'-hydroxypyridine-3-carboximidamide
CID 54980530

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide (CID 54985539) is 2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide is CCOC1CCCN(c2ncccc2/C(N)=N/O)C1.
What is the InChIKey of 2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is SAYLIDCOOLUDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-2-19-10-5-4-8-17(9-10)13-11(12(14)16-18)6-3-7-15-13/h3,6-7,10,18H,2,4-5,8-9H2,1H3,(H2,14,16).
What are the key properties of 2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide?
2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 264.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethoxypiperidin-1-yl)-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 54985539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).