N'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide

C13H19N3O — CID 57368829

IUPACN'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILESNC(=NO)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C13H19N3O/c14-13(15-17)12-6-4-5-11(9-12)10-16-7-2-1-3-8-16/h4-6,9,17H,1-3,7-8,10H2,(H2,14,15)
InChIKeyCDJQJMWMMWSOCT-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.77
Rot. Bonds3

About N'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide

N'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide (PubChem CID 57368829) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide
PubChem CID57368829
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide
SMILESNC(=NO)c1cccc(CN2CCCCC2)c1
InChIInChI=1S/C13H19N3O/c14-13(15-17)12-6-4-5-11(9-12)10-16-7-2-1-3-8-16/h4-6,9,17H,1-3,7-8,10H2,(H2,14,15)
InChIKeyCDJQJMWMMWSOCT-UHFFFAOYSA-N
XLogP1.77
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-3-(piperidin-1-ylmethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide (CID 57368829) is N'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide is NC(=NO)c1cccc(CN2CCCCC2)c1.
What is the InChIKey of N'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide?
The InChIKey is CDJQJMWMMWSOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-13(15-17)12-6-4-5-11(9-12)10-16-7-2-1-3-8-16/h4-6,9,17H,1-3,7-8,10H2,(H2,14,15).
What are the key properties of N'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide?
N'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide has a molecular weight of 233.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(piperidin-1-ylmethyl)benzenecarboximidamide is sourced from PubChem (CID 57368829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).