N-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide

C13H19N3O2 — CID 58861151

IUPACN-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide
SMILESCc1cc(/N=C/NO)ccc1N1CCC(O)CC1
InChIInChI=1S/C13H19N3O2/c1-10-8-11(14-9-15-18)2-3-13(10)16-6-4-12(17)5-7-16/h2-3,8-9,12,17-18H,4-7H2,1H3,(H,14,15)
InChIKeyZRSRKTDKXFKBTE-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.59
Rot. Bonds3

About N-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide

N-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide (PubChem CID 58861151) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide
PubChem CID58861151
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide
SMILESCc1cc(/N=C/NO)ccc1N1CCC(O)CC1
InChIInChI=1S/C13H19N3O2/c1-10-8-11(14-9-15-18)2-3-13(10)16-6-4-12(17)5-7-16/h2-3,8-9,12,17-18H,4-7H2,1H3,(H,14,15)
InChIKeyZRSRKTDKXFKBTE-UHFFFAOYSA-N
XLogP1.59
TPSA68.09 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 ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide?
The IUPAC name of N-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide (CID 58861151) is N-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide.
What is the SMILES notation for N-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide?
The canonical SMILES for N-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide is Cc1cc(/N=C/NO)ccc1N1CCC(O)CC1.
What is the InChIKey of N-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide?
The InChIKey is ZRSRKTDKXFKBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-8-11(14-9-15-18)2-3-13(10)16-6-4-12(17)5-7-16/h2-3,8-9,12,17-18H,4-7H2,1H3,(H,14,15).
What are the key properties of N-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide?
N-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide has a molecular weight of 249.31 g/mol, XLogP of 1.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[4-(4-hydroxypiperidin-1-yl)-3-methylphenyl]methanimidamide is sourced from PubChem (CID 58861151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).