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

C14H28N4O2 — CID 77012123

IUPACN'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H28N4O2/c1-2-4-13(14(15)16-19)18-8-6-17(7-9-18)11-12-5-3-10-20-12/h12-13,19H,2-11H2,1H3,(H2,15,16)
InChIKeyXONYWQDYCXGDIQ-UHFFFAOYSA-N
MW284.40 g/mol
LogP0.70
Rot. Bonds6

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

N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide (PubChem CID 77012123) has the molecular formula C14H28N4O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide
PubChem CID77012123
Molecular FormulaC14H28N4O2
Molecular Weight284.40 g/mol
Exact Mass284.22
IUPAC NameN'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide
SMILESCCCC(C(N)=NO)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C14H28N4O2/c1-2-4-13(14(15)16-19)18-8-6-17(7-9-18)11-12-5-3-10-20-12/h12-13,19H,2-11H2,1H3,(H2,15,16)
InChIKeyXONYWQDYCXGDIQ-UHFFFAOYSA-N
XLogP0.70
TPSA74.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 50.70
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-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide?
The IUPAC name of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide (CID 77012123) is N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide?
The canonical SMILES for N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide is CCCC(C(N)=NO)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide?
The InChIKey is XONYWQDYCXGDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O2/c1-2-4-13(14(15)16-19)18-8-6-17(7-9-18)11-12-5-3-10-20-12/h12-13,19H,2-11H2,1H3,(H2,15,16).
What are the key properties of N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide?
N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide has a molecular weight of 284.40 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pentanimidamide is sourced from PubChem (CID 77012123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).