6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide

C16H34N4O — CID 106710782

IUPAC6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN1CCN(C(C)(C)C)CC1)C(N)=NO
InChIInChI=1S/C16H34N4O/c1-15(2,3)20-12-10-19(11-13-20)9-7-6-8-16(4,5)14(17)18-21/h21H,6-13H2,1-5H3,(H2,17,18)
InChIKeyAXMOKRRBGMUTPD-UHFFFAOYSA-N
MW298.48 g/mol
LogP2.35
Rot. Bonds6

About 6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide

6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide (PubChem CID 106710782) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is 6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide.

Molecular Properties

Compound Name6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
PubChem CID106710782
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC Name6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
SMILESCC(C)(CCCCN1CCN(C(C)(C)C)CC1)C(N)=NO
InChIInChI=1S/C16H34N4O/c1-15(2,3)20-12-10-19(11-13-20)9-7-6-8-16(4,5)14(17)18-21/h21H,6-13H2,1-5H3,(H2,17,18)
InChIKeyAXMOKRRBGMUTPD-UHFFFAOYSA-N
XLogP2.35
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 52.35
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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Related Compounds

N'-hydroxy-2,2-dimethyl-6-(4-methylpiperazin-1-yl)hexanimidamide
CID 106710684
6-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710744
6-[4-(dimethylamino)piperidin-1-yl]-N'-hydroxy-2,2-dimethylhexanimidamide
CID 106710747
N'-hydroxy-2,2-dimethyl-5-[4-(2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 77063833
N'-hydroxy-2-methyl-2-(4-pentylpiperazin-1-yl)propanimidamide
CID 55219817
N'-hydroxy-2,2-dimethyl-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanimidamide
CID 106711385
5-(1,1-dioxo-1,4-thiazinan-4-yl)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063823
N'-hydroxy-4-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
CID 77062967
N'-hydroxy-6-[3-(hydroxymethyl)piperidin-1-yl]-2,2-dimethylhexanimidamide
CID 106710748
N'-hydroxy-2,2-dimethyl-4-piperidin-1-ylbutanimidamide
CID 77062923
N'-hydroxy-2-[4-(3-methoxypropyl)piperazin-1-yl]-2-methylpropanimidamide
CID 55201586
N'-hydroxy-2-methyl-2-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propanimidamide
CID 107912433

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide?
The IUPAC name of 6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide (CID 106710782) is 6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide.
What is the SMILES notation for 6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide?
The canonical SMILES for 6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide is CC(C)(CCCCN1CCN(C(C)(C)C)CC1)C(N)=NO.
What is the InChIKey of 6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide?
The InChIKey is AXMOKRRBGMUTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-15(2,3)20-12-10-19(11-13-20)9-7-6-8-16(4,5)14(17)18-21/h21H,6-13H2,1-5H3,(H2,17,18).
What are the key properties of 6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide?
6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide has a molecular weight of 298.48 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylpiperazin-1-yl)-N'-hydroxy-2,2-dimethylhexanimidamide is sourced from PubChem (CID 106710782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).