N'-hydroxy-3-(piperidin-1-ylamino)butanimidamide

C9H20N4O — CID 83015221

IUPACN'-hydroxy-3-(piperidin-1-ylamino)butanimidamide
SMILESCC(CC(N)=NO)NN1CCCCC1
InChIInChI=1S/C9H20N4O/c1-8(7-9(10)12-14)11-13-5-3-2-4-6-13/h8,11,14H,2-7H2,1H3,(H2,10,12)
InChIKeyLIWPNKWWMMBLEC-UHFFFAOYSA-N
MW200.29 g/mol
LogP0.50
Rot. Bonds4

About N'-hydroxy-3-(piperidin-1-ylamino)butanimidamide

N'-hydroxy-3-(piperidin-1-ylamino)butanimidamide (PubChem CID 83015221) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is N'-hydroxy-3-(piperidin-1-ylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(piperidin-1-ylamino)butanimidamide
PubChem CID83015221
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC NameN'-hydroxy-3-(piperidin-1-ylamino)butanimidamide
SMILESCC(CC(N)=NO)NN1CCCCC1
InChIInChI=1S/C9H20N4O/c1-8(7-9(10)12-14)11-13-5-3-2-4-6-13/h8,11,14H,2-7H2,1H3,(H2,10,12)
InChIKeyLIWPNKWWMMBLEC-UHFFFAOYSA-N
XLogP0.50
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 50.50
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

2-[[(2,6-dimethylpiperidin-1-yl)amino]methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103370101
N'-hydroxy-3-[4-(methylamino)piperazin-1-yl]propanimidamide
CID 57950843
N'-hydroxy-3-[4-(methylamino)piperazin-1-yl]propanimidamide
CID 76673552
N'-amino-3-[methylamino-[(3R)-piperidin-3-yl]amino]propanimidamide
CID 172989581
N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]propanimidamide
CID 24694552
N'-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanimidamide
CID 24709708
4-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxybutanimidamide
CID 43586077
3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypropanimidamide
CID 43586079
3-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide
CID 43586080
N'-hydroxy-3-[methyl-(1-methylpiperidin-4-yl)amino]pentanimidamide
CID 54942020
N'-hydroxy-5-[methyl-(1-methylpiperidin-4-yl)amino]pentanimidamide
CID 54965910
5-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxypentanimidamide
CID 54966178

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(piperidin-1-ylamino)butanimidamide?
The IUPAC name of N'-hydroxy-3-(piperidin-1-ylamino)butanimidamide (CID 83015221) is N'-hydroxy-3-(piperidin-1-ylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-3-(piperidin-1-ylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-3-(piperidin-1-ylamino)butanimidamide is CC(CC(N)=NO)NN1CCCCC1.
What is the InChIKey of N'-hydroxy-3-(piperidin-1-ylamino)butanimidamide?
The InChIKey is LIWPNKWWMMBLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-8(7-9(10)12-14)11-13-5-3-2-4-6-13/h8,11,14H,2-7H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-3-(piperidin-1-ylamino)butanimidamide?
N'-hydroxy-3-(piperidin-1-ylamino)butanimidamide has a molecular weight of 200.29 g/mol, XLogP of 0.50, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(piperidin-1-ylamino)butanimidamide is sourced from PubChem (CID 83015221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).