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

C10H22N4O2 — CID 77033069

IUPACN'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide
SMILESCC(C)(O)CN1CCN(CC(N)=NO)CC1
InChIInChI=1S/C10H22N4O2/c1-10(2,15)8-14-5-3-13(4-6-14)7-9(11)12-16/h15-16H,3-8H2,1-2H3,(H2,11,12)
InChIKeyPWCDTXRJFMBZCG-UHFFFAOYSA-N
MW230.31 g/mol
LogP-0.88
Rot. Bonds4

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

N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide (PubChem CID 77033069) has the molecular formula C10H22N4O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide
PubChem CID77033069
Molecular FormulaC10H22N4O2
Molecular Weight230.31 g/mol
Exact Mass230.17
IUPAC NameN'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide
SMILESCC(C)(O)CN1CCN(CC(N)=NO)CC1
InChIInChI=1S/C10H22N4O2/c1-10(2,15)8-14-5-3-13(4-6-14)7-9(11)12-16/h15-16H,3-8H2,1-2H3,(H2,11,12)
InChIKeyPWCDTXRJFMBZCG-UHFFFAOYSA-N
XLogP-0.88
TPSA85.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.88
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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Related Compounds

3,3,3-trifluoro-N'-hydroxy-2-[[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methyl]propanimidamide
CID 103369448
N'-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpropanimidamide
CID 43592117
2-(2,2-dimethylmorpholin-4-yl)-N'-hydroxyethanimidamide
CID 43592863
N'-hydroxy-2-(2,2,6-trimethylmorpholin-4-yl)ethanimidamide
CID 61963543
3-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-2-methylpropanimidamide
CID 64340706
2-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide
CID 64340707
3-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]propanimidamide
CID 64340708
4-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide
CID 64340709
5-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]pentanimidamide
CID 64340904
2-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]butanimidamide
CID 64341287
2-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide
CID 64341474
2-(2,2-Dimethylmorpholino)-N-hydroxyacetimidamide
CID 74883203

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide (CID 77033069) is N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide is CC(C)(O)CN1CCN(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide?
The InChIKey is PWCDTXRJFMBZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4O2/c1-10(2,15)8-14-5-3-13(4-6-14)7-9(11)12-16/h15-16H,3-8H2,1-2H3,(H2,11,12).
What are the key properties of N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide?
N'-hydroxy-2-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide has a molecular weight of 230.31 g/mol, XLogP of -0.88, 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-hydroxy-2-methylpropyl)piperazin-1-yl]ethanimidamide is sourced from PubChem (CID 77033069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).