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

C8H18N4O2 — CID 43403420

IUPACN'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide
SMILESN/C(CN1CCN(CCO)CC1)=N\O
InChIInChI=1S/C8H18N4O2/c9-8(10-14)7-12-3-1-11(2-4-12)5-6-13/h13-14H,1-7H2,(H2,9,10)
InChIKeyMVUJVNFWBMWLII-UHFFFAOYSA-N
MW202.26 g/mol
LogP-1.66
Rot. Bonds4

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

N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide (PubChem CID 43403420) has the molecular formula C8H18N4O2 and a molecular weight of 202.26 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide
PubChem CID43403420
Molecular FormulaC8H18N4O2
Molecular Weight202.26 g/mol
Exact Mass202.14
IUPAC NameN'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide
SMILESN/C(CN1CCN(CCO)CC1)=N\O
InChIInChI=1S/C8H18N4O2/c9-8(10-14)7-12-3-1-11(2-4-12)5-6-13/h13-14H,1-7H2,(H2,9,10)
InChIKeyMVUJVNFWBMWLII-UHFFFAOYSA-N
XLogP-1.66
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 5-1.66
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]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide (CID 43403420) is N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide is N/C(CN1CCN(CCO)CC1)=N\O.
What is the InChIKey of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide?
The InChIKey is MVUJVNFWBMWLII-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N4O2/c9-8(10-14)7-12-3-1-11(2-4-12)5-6-13/h13-14H,1-7H2,(H2,9,10).
What are the key properties of N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanimidamide has a molecular weight of 202.26 g/mol, XLogP of -1.66, 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]ethanimidamide is sourced from PubChem (CID 43403420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).