N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide

C9H19N3O2 — CID 102958315

IUPACN'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide
SMILESCC1CCN(CCC(N)=NO)CC1O
InChIInChI=1S/C9H19N3O2/c1-7-2-4-12(6-8(7)13)5-3-9(10)11-14/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyBXLZHIKVGUBXMJ-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.17
Rot. Bonds3

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

N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide (PubChem CID 102958315) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide
PubChem CID102958315
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide
SMILESCC1CCN(CCC(N)=NO)CC1O
InChIInChI=1S/C9H19N3O2/c1-7-2-4-12(6-8(7)13)5-3-9(10)11-14/h7-8,13-14H,2-6H2,1H3,(H2,10,11)
InChIKeyBXLZHIKVGUBXMJ-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-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369242
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxypiperidin-1-yl)methyl]propanimidamide
CID 103369309
3,3,3-trifluoro-N'-hydroxy-2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370258
3,3,3-Trifluoro-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370847
3,3,3-trifluoro-N'-hydroxy-2-[[4-(1-hydroxyethyl)piperidin-1-yl]methyl]propanimidamide
CID 106836093
3,3,3-trifluoro-N'-hydroxy-2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]propanimidamide
CID 113808087
(3R,4R)-3-hydroxy-1-methylpiperidine-4-carboximidamide
CID 54195403
(1S)-1-[1-(3-propan-2-yl-2,5-dihydro-1,2,4-oxadiazol-5-yl)piperidin-4-yl]ethanol
CID 163960989
N'-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133175
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43133176
N'-hydroxy-2-[4-(hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 43133177
3-[4-(Hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43133191

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide (CID 102958315) is N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide is CC1CCN(CCC(N)=NO)CC1O.
What is the InChIKey of N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide?
The InChIKey is BXLZHIKVGUBXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-7-2-4-12(6-8(7)13)5-3-9(10)11-14/h7-8,13-14H,2-6H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide?
N'-hydroxy-3-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide 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-(3-hydroxy-4-methylpiperidin-1-yl)propanimidamide is sourced from PubChem (CID 102958315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).