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

C9H19N3O2 — CID 104876714

IUPACN'-hydroxy-3-(3-hydroxy-3-methylpiperidin-1-yl)propanimidamide
SMILESCC1(O)CCCN(CCC(N)=NO)C1
InChIInChI=1S/C9H19N3O2/c1-9(13)4-2-5-12(7-9)6-3-8(10)11-14/h13-14H,2-7H2,1H3,(H2,10,11)
InChIKeyVFPANZOQGSAJLH-UHFFFAOYSA-N
MW201.27 g/mol
LogP-0.03
Rot. Bonds3

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

N'-hydroxy-3-(3-hydroxy-3-methylpiperidin-1-yl)propanimidamide (PubChem CID 104876714) has the molecular formula C9H19N3O2 and a molecular weight of 201.27 g/mol. Its IUPAC name is N'-hydroxy-3-(3-hydroxy-3-methylpiperidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-hydroxy-3-methylpiperidin-1-yl)propanimidamide
PubChem CID104876714
Molecular FormulaC9H19N3O2
Molecular Weight201.27 g/mol
Exact Mass201.15
IUPAC NameN'-hydroxy-3-(3-hydroxy-3-methylpiperidin-1-yl)propanimidamide
SMILESCC1(O)CCCN(CCC(N)=NO)C1
InChIInChI=1S/C9H19N3O2/c1-9(13)4-2-5-12(7-9)6-3-8(10)11-14/h13-14H,2-7H2,1H3,(H2,10,11)
InChIKeyVFPANZOQGSAJLH-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
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-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370216
3,3,3-Trifluoro-2-[(3-hydroxy-3-methylpiperidin-1-yl)methyl]propanimidamide
CID 103370832
N'-hydroxy-3-(3-hydroxypiperidin-1-yl)propanimidamide
CID 61434608
N'-hydroxy-3-(3-hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 61434659
N'-hydroxy-5-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 77032944
N'-hydroxy-3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methylpropanimidamide
CID 77114027
N'-hydroxy-5-[(2-hydroxy-2,4-dimethylpentyl)amino]pentanimidamide
CID 77114036
N'-hydroxy-4-[(2-hydroxy-2,4-dimethylpentyl)amino]butanimidamide
CID 77114037
N'-hydroxy-3-[(2-hydroxy-2,4-dimethylpentyl)amino]propanimidamide
CID 77114055
N'-hydroxy-5-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide
CID 81114877
N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)butanimidamide
CID 81115114
N'-hydroxy-3-(4-hydroxy-4-methylpiperidin-1-yl)pentanimidamide
CID 81115751

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(3-hydroxy-3-methylpiperidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(3-hydroxy-3-methylpiperidin-1-yl)propanimidamide (CID 104876714) is N'-hydroxy-3-(3-hydroxy-3-methylpiperidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-hydroxy-3-methylpiperidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-hydroxy-3-methylpiperidin-1-yl)propanimidamide is CC1(O)CCCN(CCC(N)=NO)C1.
What is the InChIKey of N'-hydroxy-3-(3-hydroxy-3-methylpiperidin-1-yl)propanimidamide?
The InChIKey is VFPANZOQGSAJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O2/c1-9(13)4-2-5-12(7-9)6-3-8(10)11-14/h13-14H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-3-(3-hydroxy-3-methylpiperidin-1-yl)propanimidamide?
N'-hydroxy-3-(3-hydroxy-3-methylpiperidin-1-yl)propanimidamide has a molecular weight of 201.27 g/mol, XLogP of -0.03, 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-3-methylpiperidin-1-yl)propanimidamide is sourced from PubChem (CID 104876714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).