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

C9H20N4O2 — CID 76914928

IUPACN'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(CCO)CC1
InChIInChI=1S/C9H20N4O2/c1-8(9(10)11-15)13-4-2-12(3-5-13)6-7-14/h8,14-15H,2-7H2,1H3,(H2,10,11)
InChIKeyNFYVVPHYAGWNSL-UHFFFAOYSA-N
MW216.28 g/mol
LogP-1.27
Rot. Bonds4

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

N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide (PubChem CID 76914928) has the molecular formula C9H20N4O2 and a molecular weight of 216.28 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
PubChem CID76914928
Molecular FormulaC9H20N4O2
Molecular Weight216.28 g/mol
Exact Mass216.16
IUPAC NameN'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
SMILESCC(C(N)=NO)N1CCN(CCO)CC1
InChIInChI=1S/C9H20N4O2/c1-8(9(10)11-15)13-4-2-12(3-5-13)6-7-14/h8,14-15H,2-7H2,1H3,(H2,10,11)
InChIKeyNFYVVPHYAGWNSL-UHFFFAOYSA-N
XLogP-1.27
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide (CID 76914928) is N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide is CC(C(N)=NO)N1CCN(CCO)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide?
The InChIKey is NFYVVPHYAGWNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O2/c1-8(9(10)11-15)13-4-2-12(3-5-13)6-7-14/h8,14-15H,2-7H2,1H3,(H2,10,11).
What are the key properties of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide has a molecular weight of 216.28 g/mol, XLogP of -1.27, 4 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]propanimidamide is sourced from PubChem (CID 76914928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).