3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide

C12H26N4O — CID 107164199

IUPAC3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NCC1(C)CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-10(8-11(13)15-17)14-9-12(2)4-6-16(3)7-5-12/h10,14,17H,4-9H2,1-3H3,(H2,13,15)
InChIKeySVAFFXNSAZZKHO-UHFFFAOYSA-N
MW242.37 g/mol
LogP0.83
Rot. Bonds5

About 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide

3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide (PubChem CID 107164199) has the molecular formula C12H26N4O and a molecular weight of 242.37 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide
PubChem CID107164199
Molecular FormulaC12H26N4O
Molecular Weight242.37 g/mol
Exact Mass242.21
IUPAC Name3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide
SMILESCC(CC(N)=NO)NCC1(C)CCN(C)CC1
InChIInChI=1S/C12H26N4O/c1-10(8-11(13)15-17)14-9-12(2)4-6-16(3)7-5-12/h10,14,17H,4-9H2,1-3H3,(H2,13,15)
InChIKeySVAFFXNSAZZKHO-UHFFFAOYSA-N
XLogP0.83
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 50.83
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-[(1-hydroxycycloheptyl)methylamino]butanimidamide
CID 77056752
3-[[1-(dimethylamino)cyclopentyl]methylamino]-N'-hydroxybutanimidamide
CID 83120864
3-[(1,4-dimethylpiperidin-4-yl)methylamino]butan-2-ol
CID 107163564
N-[(1,4-dimethylpiperidin-4-yl)methyl]nonan-2-amine
CID 107163173
N'-hydroxy-3-[(1-methylcyclobutyl)amino]butanimidamide
CID 104865748
N-[(1,4-dimethylpiperidin-4-yl)methyl]but-3-en-2-amine
CID 107908367
N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-(N'-hydroxycarbamimidoyl)butanamide
CID 107164956
6-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 107164198
2-[(4-amino-4-hydroxyiminobutan-2-yl)amino]acetamide
CID 77027473
2-[(1,4-dimethylpiperidin-4-yl)methylamino]-N-propylpropanamide
CID 107163556
N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide
CID 77027223
3-[(4-methyloxan-4-yl)methylamino]butanamide
CID 115893031

Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide?
The IUPAC name of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide (CID 107164199) is 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide.
What is the SMILES notation for 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide?
The canonical SMILES for 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide is CC(CC(N)=NO)NCC1(C)CCN(C)CC1.
What is the InChIKey of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide?
The InChIKey is SVAFFXNSAZZKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O/c1-10(8-11(13)15-17)14-9-12(2)4-6-16(3)7-5-12/h10,14,17H,4-9H2,1-3H3,(H2,13,15).
What are the key properties of 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide?
3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide has a molecular weight of 242.37 g/mol, XLogP of 0.83, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperidin-4-yl)methylamino]-N'-hydroxybutanimidamide is sourced from PubChem (CID 107164199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).