N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide

C11H23N3O2 — CID 43590334

IUPACN'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCCC(CO)C1
InChIInChI=1S/C11H23N3O2/c1-2-10(6-11(12)13-16)14-5-3-4-9(7-14)8-15/h9-10,15-16H,2-8H2,1H3,(H2,12,13)
InChIKeyYXGCTTPPIOGLSX-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.61
Rot. Bonds5

About N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide

N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide (PubChem CID 43590334) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide
PubChem CID43590334
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCCC(CO)C1
InChIInChI=1S/C11H23N3O2/c1-2-10(6-11(12)13-16)14-5-3-4-9(7-14)8-15/h9-10,15-16H,2-8H2,1H3,(H2,12,13)
InChIKeyYXGCTTPPIOGLSX-UHFFFAOYSA-N
XLogP0.61
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.61
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-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 103369267
3,3,3-trifluoro-N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 106587065
N'-hydroxy-3-[2-(2-hydroxyethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43367938
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 43368029
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43368034
N'-hydroxy-2-[3-(hydroxymethyl)piperidin-1-yl]ethanimidamide
CID 43403421
N'-hydroxy-4-[3-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43590330
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43590332
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
CID 43590335
3-[3-(Hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43590350
4-[3-(Hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43590351
3-[3-(Hydroxymethyl)piperidin-1-yl]pentanimidamide
CID 43590353

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide (CID 43590334) is N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide is CCC(C/C(N)=N/O)N1CCCC(CO)C1.
What is the InChIKey of N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide?
The InChIKey is YXGCTTPPIOGLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-2-10(6-11(12)13-16)14-5-3-4-9(7-14)8-15/h9-10,15-16H,2-8H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide?
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]pentanimidamide is sourced from PubChem (CID 43590334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).