N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide

C10H21N3O2 — CID 81115844

IUPACN'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide
SMILESCC(CN1CCC(C)(O)CC1)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-8(9(11)12-15)7-13-5-3-10(2,14)4-6-13/h8,14-15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyUKNCNTUJEPTRNQ-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.22
Rot. Bonds3

About N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide

N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide (PubChem CID 81115844) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide
PubChem CID81115844
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide
SMILESCC(CN1CCC(C)(O)CC1)C(N)=NO
InChIInChI=1S/C10H21N3O2/c1-8(9(11)12-15)7-13-5-3-10(2,14)4-6-13/h8,14-15H,3-7H2,1-2H3,(H2,11,12)
InChIKeyUKNCNTUJEPTRNQ-UHFFFAOYSA-N
XLogP0.22
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.22
H-Bond Donors ≤ 53
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-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide (CID 81115844) is N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide is CC(CN1CCC(C)(O)CC1)C(N)=NO.
What is the InChIKey of N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide?
The InChIKey is UKNCNTUJEPTRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(9(11)12-15)7-13-5-3-10(2,14)4-6-13/h8,14-15H,3-7H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide?
N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.22, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanimidamide is sourced from PubChem (CID 81115844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).