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

C10H21N3O2 — CID 104940928

IUPACN'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide
SMILESCC1CN(C(C)CC(N)=NO)CCC1O
InChIInChI=1S/C10H21N3O2/c1-7-6-13(4-3-9(7)14)8(2)5-10(11)12-15/h7-9,14-15H,3-6H2,1-2H3,(H2,11,12)
InChIKeySCQULZCUXMMJJO-UHFFFAOYSA-N
MW215.30 g/mol
LogP0.21
Rot. Bonds3

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

N'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide (PubChem CID 104940928) has the molecular formula C10H21N3O2 and a molecular weight of 215.30 g/mol. Its IUPAC name is N'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide
PubChem CID104940928
Molecular FormulaC10H21N3O2
Molecular Weight215.30 g/mol
Exact Mass215.16
IUPAC NameN'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide
SMILESCC1CN(C(C)CC(N)=NO)CCC1O
InChIInChI=1S/C10H21N3O2/c1-7-6-13(4-3-9(7)14)8(2)5-10(11)12-15/h7-9,14-15H,3-6H2,1-2H3,(H2,11,12)
InChIKeySCQULZCUXMMJJO-UHFFFAOYSA-N
XLogP0.21
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 50.21
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

N'-hydroxy-3-[3-(methoxymethyl)pyrrolidin-1-yl]butanimidamide
CID 77048476
N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
CID 129381008
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N'-hydroxybutanimidamide
CID 79935274
4-(4-hydroxy-3-methylpiperidin-1-yl)pentanehydrazide
CID 114683804
3-(3-ethoxypiperidin-1-yl)-N'-hydroxybutanimidamide
CID 76910258
3-(2-ethylmorpholin-4-yl)-N'-hydroxybutanimidamide
CID 76883581
3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide
CID 114678826
1-(1-amino-3,3-dimethylbutan-2-yl)-3-methylpiperidin-4-ol
CID 114677908
N'-hydroxy-3-(1-oxo-1,4-thiazinan-4-yl)butanimidamide
CID 109375800
2-(4-hydroxy-3-methylpiperidin-1-yl)propanenitrile
CID 114502562
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407767
1-(3-amino-1,1,1-trifluorobutan-2-yl)-3-methylpiperidin-4-ol
CID 114677836

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide?
The IUPAC name of N'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide (CID 104940928) is N'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide is CC1CN(C(C)CC(N)=NO)CCC1O.
What is the InChIKey of N'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide?
The InChIKey is SCQULZCUXMMJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O2/c1-7-6-13(4-3-9(7)14)8(2)5-10(11)12-15/h7-9,14-15H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide?
N'-hydroxy-3-(4-hydroxy-3-methylpiperidin-1-yl)butanimidamide has a molecular weight of 215.30 g/mol, XLogP of 0.21, 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-hydroxy-3-methylpiperidin-1-yl)butanimidamide is sourced from PubChem (CID 104940928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).