N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide

C13H20N4O — CID 77041964

IUPACN'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1CCc1ccncc1
InChIInChI=1S/C13H20N4O/c14-13(16-18)12-3-1-2-9-17(12)10-6-11-4-7-15-8-5-11/h4-5,7-8,12,18H,1-3,6,9-10H2,(H2,14,16)
InChIKeyRWFMRKPZUNYLIH-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.23
Rot. Bonds4

About N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide

N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide (PubChem CID 77041964) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide
PubChem CID77041964
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide
SMILESNC(=NO)C1CCCCN1CCc1ccncc1
InChIInChI=1S/C13H20N4O/c14-13(16-18)12-3-1-2-9-17(12)10-6-11-4-7-15-8-5-11/h4-5,7-8,12,18H,1-3,6,9-10H2,(H2,14,16)
InChIKeyRWFMRKPZUNYLIH-UHFFFAOYSA-N
XLogP1.23
TPSA74.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.23
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide?
The IUPAC name of N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide (CID 77041964) is N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide.
What is the SMILES notation for N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide?
The canonical SMILES for N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide is NC(=NO)C1CCCCN1CCc1ccncc1.
What is the InChIKey of N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide?
The InChIKey is RWFMRKPZUNYLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c14-13(16-18)12-3-1-2-9-17(12)10-6-11-4-7-15-8-5-11/h4-5,7-8,12,18H,1-3,6,9-10H2,(H2,14,16).
What are the key properties of N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide?
N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide has a molecular weight of 248.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-1-(2-pyridin-4-ylethyl)piperidine-2-carboximidamide is sourced from PubChem (CID 77041964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).