N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide

C10H21N3O2 — CID 43590335

IUPACN'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
SMILESCC(CN1CCCC(CO)C1)/C(N)=N/O
InChIInChI=1S/C10H21N3O2/c1-8(10(11)12-15)5-13-4-2-3-9(6-13)7-14/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyZZJHSLHOPGXMSC-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.07
Rot. Bonds4

About N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide

N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide (PubChem CID 43590335) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
PubChem CID43590335
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide
SMILESCC(CN1CCCC(CO)C1)/C(N)=N/O
InChIInChI=1S/C10H21N3O2/c1-8(10(11)12-15)5-13-4-2-3-9(6-13)7-14/h8-9,14-15H,2-7H2,1H3,(H2,11,12)
InChIKeyZZJHSLHOPGXMSC-UHFFFAOYSA-N
XLogP0.07
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.07
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'}

Analyze N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3,3,3-Trifluoro-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]propanimidamide
CID 113808125
(1-Ethanimidoylpiperidin-3-yl)methanol
CID 60085645
N'-hydroxy-4-[4-(hydroxymethyl)piperidin-1-yl]butanimidamide
CID 43133175
N'-hydroxy-3-[4-(hydroxymethyl)piperidin-1-yl]propanimidamide
CID 43133176
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 43367928
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

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide?
The IUPAC name of N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide (CID 43590335) is N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide is CC(CN1CCCC(CO)C1)/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide?
The InChIKey is ZZJHSLHOPGXMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-8(10(11)12-15)5-13-4-2-3-9(6-13)7-14/h8-9,14-15H,2-7H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide?
N'-hydroxy-3-[3-(hydroxymethyl)piperidin-1-yl]-2-methylpropanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.07, 4 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]-2-methylpropanimidamide is sourced from PubChem (CID 43590335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).