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

C9H20N4O2 — CID 43592115

IUPACN'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
SMILESN/C(CCN1CCN(CCO)CC1)=N\O
InChIInChI=1S/C9H20N4O2/c10-9(11-15)1-2-12-3-5-13(6-4-12)7-8-14/h14-15H,1-8H2,(H2,10,11)
InChIKeyBJQQECZUWGAISD-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.27
Rot. Bonds5

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

N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide (PubChem CID 43592115) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
PubChem CID43592115
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC NameN'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
SMILESN/C(CCN1CCN(CCO)CC1)=N\O
InChIInChI=1S/C9H20N4O2/c10-9(11-15)1-2-12-3-5-13(6-4-12)7-8-14/h14-15H,1-8H2,(H2,10,11)
InChIKeyBJQQECZUWGAISD-UHFFFAOYSA-N
XLogP-1.27
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-1.27
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

3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide
CID 103369268
3-[4-(3-Amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide
CID 68749710
2-[4-[(Z)-C-(4-amino-2,3-dihydro-1,2,5-oxadiazol-3-yl)-N-hydroxycarbonimidoyl]piperazin-1-yl]ethanol;ethane
CID 143840025
3-[4-(2-Hydroxyethyl)piperazin-1-yl]propanimidamide
CID 28811977
N'-hydroxy-3-[methyl(2-morpholin-4-ylethyl)amino]propanimidamide
CID 43186620
N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide
CID 43403420
N'-hydroxy-4-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
CID 43592113
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 43592116
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
CID 43592117
4-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 43592132
3-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
CID 43592135
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-3-oxopropanimidamide
CID 43592295

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide (CID 43592115) is N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide is N/C(CCN1CCN(CCO)CC1)=N\O.
What is the InChIKey of N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide?
The InChIKey is BJQQECZUWGAISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c10-9(11-15)1-2-12-3-5-13(6-4-12)7-8-14/h14-15H,1-8H2,(H2,10,11).
What are the key properties of N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide has a molecular weight of 216.28 g/mol, XLogP of -1.27, 5 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]propanimidamide is sourced from PubChem (CID 43592115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).