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

C10H22N4O2 — CID 76915564

IUPACN'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(CCO)CC1
InChIInChI=1S/C10H22N4O2/c1-2-9(10(11)12-16)14-5-3-13(4-6-14)7-8-15/h9,15-16H,2-8H2,1H3,(H2,11,12)
InChIKeyJRHXOIUBZRPCOC-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.88
Rot. Bonds5

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

N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide (PubChem CID 76915564) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
PubChem CID76915564
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC NameN'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
SMILESCCC(C(N)=NO)N1CCN(CCO)CC1
InChIInChI=1S/C10H22N4O2/c1-2-9(10(11)12-16)14-5-3-13(4-6-14)7-8-15/h9,15-16H,2-8H2,1H3,(H2,11,12)
InChIKeyJRHXOIUBZRPCOC-UHFFFAOYSA-N
XLogP-0.88
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.88
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-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide (CID 76915564) is N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide is CCC(C(N)=NO)N1CCN(CCO)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide?
The InChIKey is JRHXOIUBZRPCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-2-9(10(11)12-16)14-5-3-13(4-6-14)7-8-15/h9,15-16H,2-8H2,1H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide?
N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide has a molecular weight of 230.31 g/mol, XLogP of -0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide is sourced from PubChem (CID 76915564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).