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

C12H26N4O2 — CID 77033071

IUPACN'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide
SMILESCC(C)(O)CN1CCN(CCCC(N)=NO)CC1
InChIInChI=1S/C12H26N4O2/c1-12(2,17)10-16-8-6-15(7-9-16)5-3-4-11(13)14-18/h17-18H,3-10H2,1-2H3,(H2,13,14)
InChIKeyHWEAJFOSZPQBGQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP-0.10
Rot. Bonds6

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

N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide (PubChem CID 77033071) has the molecular formula C12H26N4O2 and a molecular weight of 258.37 g/mol. Its IUPAC name is N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide
PubChem CID77033071
Molecular FormulaC12H26N4O2
Molecular Weight258.37 g/mol
Exact Mass258.21
IUPAC NameN'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide
SMILESCC(C)(O)CN1CCN(CCCC(N)=NO)CC1
InChIInChI=1S/C12H26N4O2/c1-12(2,17)10-16-8-6-15(7-9-16)5-3-4-11(13)14-18/h17-18H,3-10H2,1-2H3,(H2,13,14)
InChIKeyHWEAJFOSZPQBGQ-UHFFFAOYSA-N
XLogP-0.10
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 5-0.10
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]butanimidamide?
The IUPAC name of N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide (CID 77033071) is N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide is CC(C)(O)CN1CCN(CCCC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide?
The InChIKey is HWEAJFOSZPQBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4O2/c1-12(2,17)10-16-8-6-15(7-9-16)5-3-4-11(13)14-18/h17-18H,3-10H2,1-2H3,(H2,13,14).
What are the key properties of N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide?
N'-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide has a molecular weight of 258.37 g/mol, XLogP of -0.10, 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]butanimidamide is sourced from PubChem (CID 77033071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).