N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide

C11H24N4O2 — CID 43592116

IUPACN'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCN(CCO)CC1
InChIInChI=1S/C11H24N4O2/c1-2-10(9-11(12)13-17)15-5-3-14(4-6-15)7-8-16/h10,16-17H,2-9H2,1H3,(H2,12,13)
InChIKeyOZCSLSBGGOCUOB-UHFFFAOYSA-N
MW244.34 g/mol
LogP-0.49
Rot. Bonds6

About N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide

N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide (PubChem CID 43592116) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
PubChem CID43592116
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC NameN'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCN(CCO)CC1
InChIInChI=1S/C11H24N4O2/c1-2-10(9-11(12)13-17)15-5-3-14(4-6-15)7-8-16/h10,16-17H,2-9H2,1H3,(H2,12,13)
InChIKeyOZCSLSBGGOCUOB-UHFFFAOYSA-N
XLogP-0.49
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 5-0.49
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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Related Compounds

N'-hydroxy-2-[4-[2-(trifluoromethoxy)ethyl]piperazin-1-yl]pentanimidamide
CID 77100310
2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol;ethane
CID 143840025
N'-hydroxy-3-morpholin-4-ylpentanimidamide
CID 43174972
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide
CID 43367924
N'-hydroxy-3-(3-methylmorpholin-4-yl)pentanimidamide
CID 43542175
N'-hydroxy-4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
CID 43592113
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
CID 43592115
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
CID 43592117
3-[4-(2-Hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 43592134
3-(3-ethylmorpholin-4-yl)-N'-hydroxypentanimidamide
CID 43613263
N'-hydroxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 54966179
3-[cyclohexyl(2-hydroxyethyl)amino]-N'-hydroxy-2-methylpropanimidamide
CID 54993937

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide (CID 43592116) is N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide is CCC(C/C(N)=N/O)N1CCN(CCO)CC1.
What is the InChIKey of N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide?
The InChIKey is OZCSLSBGGOCUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-2-10(9-11(12)13-17)15-5-3-14(4-6-15)7-8-16/h10,16-17H,2-9H2,1H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide?
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide has a molecular weight of 244.34 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide is sourced from PubChem (CID 43592116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).