N'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide

C13H27N3O2 — CID 54984965

IUPACN'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide
SMILESCCCOC1CCCN(C(CC)C/C(N)=N/O)C1
InChIInChI=1S/C13H27N3O2/c1-3-8-18-12-6-5-7-16(10-12)11(4-2)9-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15)
InChIKeyIEPFUODARRAPBS-UHFFFAOYSA-N
MW257.38 g/mol
LogP1.79
Rot. Bonds7

About N'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide

N'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide (PubChem CID 54984965) has the molecular formula C13H27N3O2 and a molecular weight of 257.38 g/mol. Its IUPAC name is N'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide
PubChem CID54984965
Molecular FormulaC13H27N3O2
Molecular Weight257.38 g/mol
Exact Mass257.21
IUPAC NameN'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide
SMILESCCCOC1CCCN(C(CC)C/C(N)=N/O)C1
InChIInChI=1S/C13H27N3O2/c1-3-8-18-12-6-5-7-16(10-12)11(4-2)9-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15)
InChIKeyIEPFUODARRAPBS-UHFFFAOYSA-N
XLogP1.79
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-3-(3-propoxypiperidin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide (CID 54984965) is N'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide is CCCOC1CCCN(C(CC)C/C(N)=N/O)C1.
What is the InChIKey of N'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide?
The InChIKey is IEPFUODARRAPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O2/c1-3-8-18-12-6-5-7-16(10-12)11(4-2)9-13(14)15-17/h11-12,17H,3-10H2,1-2H3,(H2,14,15).
What are the key properties of N'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide?
N'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide has a molecular weight of 257.38 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-propoxypiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 54984965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).