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

C9H20N4O — CID 28811977

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCN(CCO)CC1
InChIInChI=1S/C9H20N4O/c10-9(11)1-2-12-3-5-13(6-4-12)7-8-14/h14H,1-8H2,(H3,10,11)
InChIKeyAEXQXMYSUHXYND-UHFFFAOYSA-N
MW200.29 g/mol
LogP-1.08
Rot. Bonds5

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

3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide (PubChem CID 28811977) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
PubChem CID28811977
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide
SMILES[H]/N=C(\N)CCN1CCN(CCO)CC1
InChIInChI=1S/C9H20N4O/c10-9(11)1-2-12-3-5-13(6-4-12)7-8-14/h14H,1-8H2,(H3,10,11)
InChIKeyAEXQXMYSUHXYND-UHFFFAOYSA-N
XLogP-1.08
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]propanimidamide
CID 103370591
2-[4-(2-Hydroxyethyl)piperazin-1-yl]ethanimidamide
CID 43592129
3-[4-(3-Amino-1-hydroxy-3-iminopropyl)piperazin-1-yl]-3-hydroxypropanimidamide
CID 68749710
2-[4-(1-Hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide
CID 91007701
3-[Methyl(2-morpholin-4-ylethyl)amino]propanimidamide
CID 28394929
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
4-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 43592132
3-[4-(2-Hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 43592134
3-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
CID 43592135
N'-hydroxy-5-[4-(2-hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 54966179

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide (CID 28811977) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide is [H]/N=C(\N)CCN1CCN(CCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide?
The InChIKey is AEXQXMYSUHXYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4O/c10-9(11)1-2-12-3-5-13(6-4-12)7-8-14/h14H,1-8H2,(H3,10,11).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide?
3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide has a molecular weight of 200.29 g/mol, XLogP of -1.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 28811977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).