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

C10H22N4O — CID 60914347

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCN(CCO)CC1
InChIInChI=1S/C10H22N4O/c1-9(8-10(11)12)14-4-2-13(3-5-14)6-7-15/h9,15H,2-8H2,1H3,(H3,11,12)
InChIKeyBUUFZVLQOPJXND-UHFFFAOYSA-N
MW214.31 g/mol
LogP-0.69
Rot. Bonds5

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

3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide (PubChem CID 60914347) has the molecular formula C10H22N4O and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
PubChem CID60914347
Molecular FormulaC10H22N4O
Molecular Weight214.31 g/mol
Exact Mass214.18
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide
SMILES[H]/N=C(\N)CC(C)N1CCN(CCO)CC1
InChIInChI=1S/C10H22N4O/c1-9(8-10(11)12)14-4-2-13(3-5-14)6-7-15/h9,15H,2-8H2,1H3,(H3,11,12)
InChIKeyBUUFZVLQOPJXND-UHFFFAOYSA-N
XLogP-0.69
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 5-0.69
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

2-[4-(1-Hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide
CID 91007701
3-[4-(2-Hydroxyethyl)piperazin-1-yl]propanimidamide
CID 28811977
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]pentanimidamide
CID 43592116
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
3-[2-Morpholin-4-ylethyl(propan-2-yl)amino]propanimidamide
CID 54996962
3-[2-Hydroxyethyl(methyl)amino]pentanimidamide
CID 60961694
3-[2-Hydroxyethyl(methyl)amino]butanimidamide
CID 60961695
3-[Ethyl(2-hydroxyethyl)amino]pentanimidamide
CID 60980767

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide (CID 60914347) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide is [H]/N=C(\N)CC(C)N1CCN(CCO)CC1.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide?
The InChIKey is BUUFZVLQOPJXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O/c1-9(8-10(11)12)14-4-2-13(3-5-14)6-7-15/h9,15H,2-8H2,1H3,(H3,11,12).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide?
3-[4-(2-hydroxyethyl)piperazin-1-yl]butanimidamide has a molecular weight of 214.31 g/mol, XLogP of -0.69, 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]butanimidamide is sourced from PubChem (CID 60914347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).