4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide

C9H20N4O — CID 76944451

IUPAC4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide
SMILESCC(C)(C)N1CCN(C(N)=NO)CC1
InChIInChI=1S/C9H20N4O/c1-9(2,3)13-6-4-12(5-7-13)8(10)11-14/h14H,4-7H2,1-3H3,(H2,10,11)
InChIKeyDMGJPYOAMHYUMX-UHFFFAOYSA-N
MW200.29 g/mol
LogP0.11
Rot. Bonds

About 4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide

4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide (PubChem CID 76944451) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide.

Molecular Properties

Compound Name4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide
PubChem CID76944451
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide
SMILESCC(C)(C)N1CCN(C(N)=NO)CC1
InChIInChI=1S/C9H20N4O/c1-9(2,3)13-6-4-12(5-7-13)8(10)11-14/h14H,4-7H2,1-3H3,(H2,10,11)
InChIKeyDMGJPYOAMHYUMX-UHFFFAOYSA-N
XLogP0.11
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 50.11
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-butylpiperazine-1-carboximidamide
CID 61432933
4-tert-butyl-N'-methylpiperazine-1-carboximidamide
CID 62359694
N'-tert-butyl-4-methylpiperazine-1-carboximidamide
CID 62361022
N-hydroxy-4-methylpiperazine-1-carboximidamide
CID 62482673
CID 73851561
CID 73851561
CID 76948979
CID 76948979
ethane;N'-hydroxy-4-methylpiperazine-1-carboximidamide
CID 178657290
CID 21864577
CID 21864577
N'-tert-butyl-4-ethylpiperazine-1-carboximidamide
CID 62360647
4-tert-butyl-N'-ethylpiperazine-1-carboximidamide
CID 62363003
4-tert-butyl-N'-propylpiperazine-1-carboximidamide
CID 62363004
N',4-ditert-butylpiperazine-1-carboximidamide
CID 62363220

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide?
The IUPAC name of 4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide (CID 76944451) is 4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide.
What is the SMILES notation for 4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide?
The canonical SMILES for 4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide is CC(C)(C)N1CCN(C(N)=NO)CC1.
What is the InChIKey of 4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide?
The InChIKey is DMGJPYOAMHYUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c1-9(2,3)13-6-4-12(5-7-13)8(10)11-14/h14H,4-7H2,1-3H3,(H2,10,11).
What are the key properties of 4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide?
4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide has a molecular weight of 200.29 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N'-hydroxypiperazine-1-carboximidamide is sourced from PubChem (CID 76944451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).