N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide

C14H30N4O2 — CID 77061976

IUPACN'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
SMILESCC(C)(O)CN1CCN(CCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H30N4O2/c1-13(2,12(15)16-20)5-6-17-7-9-18(10-8-17)11-14(3,4)19/h19-20H,5-11H2,1-4H3,(H2,15,16)
InChIKeyVQVZMIGXCXMGCL-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.54
Rot. Bonds6

About N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide

N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide (PubChem CID 77061976) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
PubChem CID77061976
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC NameN'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide
SMILESCC(C)(O)CN1CCN(CCC(C)(C)C(N)=NO)CC1
InChIInChI=1S/C14H30N4O2/c1-13(2,12(15)16-20)5-6-17-7-9-18(10-8-17)11-14(3,4)19/h19-20H,5-11H2,1-4H3,(H2,15,16)
InChIKeyVQVZMIGXCXMGCL-UHFFFAOYSA-N
XLogP0.54
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide?
The IUPAC name of N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide (CID 77061976) is N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide.
What is the SMILES notation for N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide?
The canonical SMILES for N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide is CC(C)(O)CN1CCN(CCC(C)(C)C(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide?
The InChIKey is VQVZMIGXCXMGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-13(2,12(15)16-20)5-6-17-7-9-18(10-8-17)11-14(3,4)19/h19-20H,5-11H2,1-4H3,(H2,15,16).
What are the key properties of N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide?
N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide has a molecular weight of 286.42 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]-2,2-dimethylbutanimidamide is sourced from PubChem (CID 77061976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).