4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide

C9H20N4O — CID 62483938

IUPAC4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide
SMILESCN(C)CC1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C9H20N4O/c1-12(2)7-8-3-5-13(6-4-8)9(10)11-14/h8,14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyMXFYQCOUFJDWJD-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.04
Rot. Bonds2

About 4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide

4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide (PubChem CID 62483938) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide
PubChem CID62483938
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide
SMILESCN(C)CC1CCN(/C(N)=N/O)CC1
InChIInChI=1S/C9H20N4O/c1-12(2)7-8-3-5-13(6-4-8)9(10)11-14/h8,14H,3-7H2,1-2H3,(H2,10,11)
InChIKeyMXFYQCOUFJDWJD-UHFFFAOYSA-N
XLogP-0.04
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

4-tert-butyl-N'-hydroxypiperidine-1-carboximidamide
CID 20718024
N-Carbamimidoyl-4-methylpiperidine-1-carboximidamide
CID 53215442
4-ethyl-N'-methylpiperidine-1-carboximidamide
CID 54304139
N,N-dicarbamimidoyl-4-methylpiperidine-1-carboximidamide
CID 54410657
4-Ethylpiperidine-1-carboximidamide
CID 57046741
N',4-dimethylpiperidine-1-carboximidamide
CID 62358405
N-Hydroxy-4-methylpiperidine-1-carboximidamide
CID 62482278
N-hydroxy-3-methylpiperidine-1-carboximidamide
CID 62483093
N'-hydroxy-4-propylpiperidine-1-carboximidamide
CID 62483528
N'-(N,N-dimethylcarbamimidoyl)-4-methylpiperidine-1-carboximidamide
CID 72699484
N-(N,N-dimethylcarbamimidoyl)-N,4-dimethylpiperidine-1-carboximidamide
CID 72700671
N'-hydroxy-4-methylpiperidine-1-carboximidamide
CID 73851569

Frequently Asked Questions

What is the IUPAC name of 4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide?
The IUPAC name of 4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide (CID 62483938) is 4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide.
What is the SMILES notation for 4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide?
The canonical SMILES for 4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide is CN(C)CC1CCN(/C(N)=N/O)CC1.
What is the InChIKey of 4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide?
The InChIKey is MXFYQCOUFJDWJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-12(2)7-8-3-5-13(6-4-8)9(10)11-14/h8,14H,3-7H2,1-2H3,(H2,10,11).
What are the key properties of 4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide?
4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide has a molecular weight of 200.29 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(dimethylamino)methyl]-N'-hydroxypiperidine-1-carboximidamide is sourced from PubChem (CID 62483938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).