2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide

C13H26N4O2 — CID 104889558

IUPAC2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCC1(C)CCC(CN2CCN(CC(N)=NO)CC2)O1
InChIInChI=1S/C13H26N4O2/c1-13(2)4-3-11(19-13)9-16-5-7-17(8-6-16)10-12(14)15-18/h11,18H,3-10H2,1-2H3,(H2,14,15)
InChIKeyOMUMREKFTVCQJX-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.31
Rot. Bonds4

About 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide

2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide (PubChem CID 104889558) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
PubChem CID104889558
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide
SMILESCC1(C)CCC(CN2CCN(CC(N)=NO)CC2)O1
InChIInChI=1S/C13H26N4O2/c1-13(2)4-3-11(19-13)9-16-5-7-17(8-6-16)10-12(14)15-18/h11,18H,3-10H2,1-2H3,(H2,14,15)
InChIKeyOMUMREKFTVCQJX-UHFFFAOYSA-N
XLogP0.31
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.31
H-Bond Donors ≤ 52
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

N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide
CID 55201778
N'-Hydroxy-2-(4-((tetrahydrofuran-2-yl)methyl)piperazin-1-yl)acetimidamide
CID 60669946
N'-hydroxy-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanimidamide
CID 66370670
N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide
CID 76174778
N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanimidamide
CID 76873725
N'-hydroxy-2-[methyl(oxolan-2-ylmethyl)amino]ethanimidamide
CID 76904026
2-[ethyl(oxolan-2-ylmethyl)amino]-N'-hydroxyethanimidamide
CID 76904073
N'-hydroxy-2-[oxolan-2-ylmethyl(propyl)amino]ethanimidamide
CID 76927520
N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide
CID 77012123
N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]butanimidamide
CID 77012130
N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide
CID 77012501
N'-hydroxy-1-(oxolan-2-ylmethyl)piperidine-2-carboximidamide
CID 77036049

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide (CID 104889558) is 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide is CC1(C)CCC(CN2CCN(CC(N)=NO)CC2)O1.
What is the InChIKey of 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
The InChIKey is OMUMREKFTVCQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-13(2)4-3-11(19-13)9-16-5-7-17(8-6-16)10-12(14)15-18/h11,18H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide?
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide has a molecular weight of 270.38 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]piperazin-1-yl]-N'-hydroxyethanimidamide is sourced from PubChem (CID 104889558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).