2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide

C8H18N4O — CID 43592129

IUPAC2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(CCO)CC1
InChIInChI=1S/C8H18N4O/c9-8(10)7-12-3-1-11(2-4-12)5-6-13/h13H,1-7H2,(H3,9,10)
InChIKeyHGSONYPFFCMLOF-UHFFFAOYSA-N
MW186.26 g/mol
LogP-1.47
Rot. Bonds4

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

2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide (PubChem CID 43592129) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide
PubChem CID43592129
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide
SMILES[H]/N=C(\N)CN1CCN(CCO)CC1
InChIInChI=1S/C8H18N4O/c9-8(10)7-12-3-1-11(2-4-12)5-6-13/h13H,1-7H2,(H3,9,10)
InChIKeyHGSONYPFFCMLOF-UHFFFAOYSA-N
XLogP-1.47
TPSA76.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.47
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-Hydroxy-2-(4-methylpiperazin-1-yl)ethanimidamide
CID 69638231
2-[4-(1-Hydroxy-2-methylpropan-2-yl)piperazin-1-yl]ethanimidamide
CID 91007701
2-Imino-2-(2-iminopiperazin-1-yl)ethanol
CID 169219496
3-[4-(2-Hydroxyethyl)piperazin-1-yl]propanimidamide
CID 28811977
N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide
CID 43403420
4-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 43592132
3-[4-(2-Hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
CID 43592135
5-[4-(2-Hydroxyethyl)piperazin-1-yl]pentanimidamide
CID 61524347
2-[4-(2-Hydroxyethyl)piperazin-1-yl]propanimidamide
CID 61692213
2-[4-(2-Hydroxyethyl)piperazin-1-yl]butanimidamide
CID 61697482
2-(4-Ethanimidoylpiperazin-1-yl)ethanol
CID 63173710
3-[4-(2-Hydroxyethyl)piperazin-1-yl]propanimidamide;hydrochloride
CID 82021481

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide (CID 43592129) is 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide is [H]/N=C(\N)CN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide?
The InChIKey is HGSONYPFFCMLOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O/c9-8(10)7-12-3-1-11(2-4-12)5-6-13/h13H,1-7H2,(H3,9,10).
What are the key properties of 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide?
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide has a molecular weight of 186.26 g/mol, XLogP of -1.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 43592129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).