N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide

C13H26N4O2 — CID 55201778

IUPACN'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide
SMILESCC(C)(/C(N)=N/O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C13H26N4O2/c1-13(2,12(14)15-18)17-7-5-16(6-8-17)10-11-4-3-9-19-11/h11,18H,3-10H2,1-2H3,(H2,14,15)
InChIKeyVVZRDINGLRNDGC-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.31
Rot. Bonds4

About N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide

N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide (PubChem CID 55201778) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide
PubChem CID55201778
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC NameN'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide
SMILESCC(C)(/C(N)=N/O)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C13H26N4O2/c1-13(2,12(14)15-18)17-7-5-16(6-8-17)10-11-4-3-9-19-11/h11,18H,3-10H2,1-2H3,(H2,14,15)
InChIKeyVVZRDINGLRNDGC-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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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide?
The IUPAC name of N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide (CID 55201778) is N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide?
The canonical SMILES for N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide is CC(C)(/C(N)=N/O)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide?
The InChIKey is VVZRDINGLRNDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-13(2,12(14)15-18)17-7-5-16(6-8-17)10-11-4-3-9-19-11/h11,18H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide?
N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide 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 N'-hydroxy-2-methyl-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]propanimidamide is sourced from PubChem (CID 55201778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).