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

C11H23N3O — CID 43174981

IUPACN'-hydroxy-3-(3-methylpiperidin-1-yl)pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCCC(C)C1
InChIInChI=1S/C11H23N3O/c1-3-10(7-11(12)13-15)14-6-4-5-9(2)8-14/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyZAZQFCVHEFJWRH-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.63
Rot. Bonds4

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

N'-hydroxy-3-(3-methylpiperidin-1-yl)pentanimidamide (PubChem CID 43174981) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is N'-hydroxy-3-(3-methylpiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(3-methylpiperidin-1-yl)pentanimidamide
PubChem CID43174981
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC NameN'-hydroxy-3-(3-methylpiperidin-1-yl)pentanimidamide
SMILESCCC(C/C(N)=N/O)N1CCCC(C)C1
InChIInChI=1S/C11H23N3O/c1-3-10(7-11(12)13-15)14-6-4-5-9(2)8-14/h9-10,15H,3-8H2,1-2H3,(H2,12,13)
InChIKeyZAZQFCVHEFJWRH-UHFFFAOYSA-N
XLogP1.63
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methylpiperidin-1-yl)pentanimidamide?
The IUPAC name of N'-hydroxy-3-(3-methylpiperidin-1-yl)pentanimidamide (CID 43174981) is N'-hydroxy-3-(3-methylpiperidin-1-yl)pentanimidamide.
What is the SMILES notation for N'-hydroxy-3-(3-methylpiperidin-1-yl)pentanimidamide?
The canonical SMILES for N'-hydroxy-3-(3-methylpiperidin-1-yl)pentanimidamide is CCC(C/C(N)=N/O)N1CCCC(C)C1.
What is the InChIKey of N'-hydroxy-3-(3-methylpiperidin-1-yl)pentanimidamide?
The InChIKey is ZAZQFCVHEFJWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-3-10(7-11(12)13-15)14-6-4-5-9(2)8-14/h9-10,15H,3-8H2,1-2H3,(H2,12,13).
What are the key properties of N'-hydroxy-3-(3-methylpiperidin-1-yl)pentanimidamide?
N'-hydroxy-3-(3-methylpiperidin-1-yl)pentanimidamide has a molecular weight of 213.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(3-methylpiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 43174981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).