N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide

C11H23N3O2 — CID 43372964

IUPACN'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCC(OC)CC1
InChIInChI=1S/C11H23N3O2/c1-3-9(8-11(12)13-15)14-6-4-10(16-2)5-7-14/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyYOMJOPDTCDPHMM-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.01
Rot. Bonds5

About N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide

N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide (PubChem CID 43372964) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide
PubChem CID43372964
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCC(OC)CC1
InChIInChI=1S/C11H23N3O2/c1-3-9(8-11(12)13-15)14-6-4-10(16-2)5-7-14/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyYOMJOPDTCDPHMM-UHFFFAOYSA-N
XLogP1.01
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.01
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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Related Compounds

2-[(4-ethoxypiperidin-1-yl)methyl]-3,3,3-trifluoro-N'-hydroxypropanimidamide
CID 103369282
3,3,3-trifluoro-N'-hydroxy-2-[(4-methoxypiperidin-1-yl)methyl]propanimidamide
CID 113807941
(5E)-7-oxa-1,6-diazabicyclo[6.2.2]dodec-5-en-5-amine
CID 130383392
N'-hydroxy-4-(4-hydroxypiperidin-1-yl)butanimidamide
CID 24694205
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)propanimidamide
CID 24707566
N'-hydroxy-3-morpholin-4-ylpentanimidamide
CID 43174972
N'-hydroxy-3-(2-methylmorpholin-4-yl)pentanimidamide
CID 43174984
3-(4-Hydroxypiperidin-1-yl)pentanimidamide
CID 43175060
N'-hydroxy-2-(4-methoxypiperidin-1-yl)ethanimidamide
CID 43216564
3-(2,6-dimethylmorpholin-4-yl)-N'-hydroxypentanimidamide
CID 43367750
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)pentanimidamide
CID 43367924
N'-hydroxy-3-(4-hydroxypiperidin-1-yl)-2-methylpropanimidamide
CID 43367928

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide (CID 43372964) is N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide is CCC(C/C(N)=N/O)N1CCC(OC)CC1.
What is the InChIKey of N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide?
The InChIKey is YOMJOPDTCDPHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-3-9(8-11(12)13-15)14-6-4-10(16-2)5-7-14/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide?
N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide has a molecular weight of 229.32 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(4-methoxypiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 43372964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).