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

C9H19N3O2 — CID 43367928

IUPACN'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide
SMILESCC(CN1CCC(O)CC1)/C(N)=N/O
InChIInChI=1S/C9H19N3O2/c1-7(9(10)11-14)6-12-4-2-8(13)3-5-12/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyJTJLUSYHQUYQBS-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.17
Rot. Bonds3

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

N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide (PubChem CID 43367928) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide
PubChem CID43367928
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide
SMILESCC(CN1CCC(O)CC1)/C(N)=N/O
InChIInChI=1S/C9H19N3O2/c1-7(9(10)11-14)6-12-4-2-8(13)3-5-12/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyJTJLUSYHQUYQBS-UHFFFAOYSA-N
XLogP-0.17
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 5-0.17
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103369227
2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369282
3,3,3-trifluoro-N'-hydroxy-2-[[3-hydroxybutyl(methyl)amino]methyl]propanimidamide
CID 103370201
3,3,3-Trifluoro-2-[(4-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103370550
3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 106836093
3,3,3-trifluoro-N'-hydroxy-2-[(4-methoxypiperidin-1-yl)methyl]propanimidamide
CID 113807941
3,3,3-trifluoro-N'-hydroxy-2-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 113808083
3-(4-Hydroxypiperidin-1-yl)propanimidamide
CID 24691278
N'-hydroxy-4-(4-hydroxypiperidin-1-yl)butanimidamide
CID 24694205
4-(4-Hydroxypiperidin-1-yl)butanimidamide
CID 24699078
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)propanimidamide
CID 24707566
N'-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133175

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide (CID 43367928) is N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide is CC(CN1CCC(O)CC1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide?
The InChIKey is JTJLUSYHQUYQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7(9(10)11-14)6-12-4-2-8(13)3-5-12/h7-8,13-14H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide?
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.17, 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-hydroxypiperidin-1-yl)-2-methylpropanimidamide is sourced from PubChem (CID 43367928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).