6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide

C15H32N4O — CID 106710747

IUPAC6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCN(C)C1CCN(CCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C15H32N4O/c1-15(2,14(16)17-20)9-5-6-10-19-11-7-13(8-12-19)18(3)4/h13,20H,5-12H2,1-4H3,(H2,16,17)
InChIKeyRADAVNMZBWWQJI-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.96
Rot. Bonds7

About 6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide

6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106710747) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106710747
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCN(C)C1CCN(CCCCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C15H32N4O/c1-15(2,14(16)17-20)9-5-6-10-19-11-7-13(8-12-19)18(3)4/h13,20H,5-12H2,1-4H3,(H2,16,17)
InChIKeyRADAVNMZBWWQJI-UHFFFAOYSA-N
XLogP1.96
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106710747) is 6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide is CN(C)C1CCN(CCCCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of 6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is RADAVNMZBWWQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-15(2,14(16)17-20)9-5-6-10-19-11-7-13(8-12-19)18(3)4/h13,20H,5-12H2,1-4H3,(H2,16,17).
What are the key properties of 6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide?
6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 284.45 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106710747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).