N'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide

C7H15N3O2 — CID 76650722

IUPACN'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide
SMILESNC(=NO)N1CCC(CO)CC1
InChIInChI=1S/C7H15N3O2/c8-7(9-12)10-3-1-6(5-11)2-4-10/h6,11-12H,1-5H2,(H2,8,9)
InChIKeyKPSDEVDNPWIUHZ-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.61
Rot. Bonds1

About N'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide

N'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide (PubChem CID 76650722) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is N'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide
PubChem CID76650722
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC NameN'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide
SMILESNC(=NO)N1CCC(CO)CC1
InChIInChI=1S/C7H15N3O2/c8-7(9-12)10-3-1-6(5-11)2-4-10/h6,11-12H,1-5H2,(H2,8,9)
InChIKeyKPSDEVDNPWIUHZ-UHFFFAOYSA-N
XLogP-0.61
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
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-4-(hydroxymethyl)piperidine-1-carboximidamide?
The IUPAC name of N'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide (CID 76650722) is N'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide.
What is the SMILES notation for N'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide?
The canonical SMILES for N'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide is NC(=NO)N1CCC(CO)CC1.
What is the InChIKey of N'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide?
The InChIKey is KPSDEVDNPWIUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c8-7(9-12)10-3-1-6(5-11)2-4-10/h6,11-12H,1-5H2,(H2,8,9).
What are the key properties of N'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide?
N'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide has a molecular weight of 173.22 g/mol, XLogP of -0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(hydroxymethyl)piperidine-1-carboximidamide is sourced from PubChem (CID 76650722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).