3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide

C12H25N3O — CID 43367915

IUPAC3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H25N3O/c1-4-11(6-12(13)14-16)15-7-9(2)5-10(3)8-15/h9-11,16H,4-8H2,1-3H3,(H2,13,14)
InChIKeyFCGODMRVCKQTAW-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.88
Rot. Bonds4

About 3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide

3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide (PubChem CID 43367915) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide
PubChem CID43367915
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide
SMILESCCC(C/C(N)=N/O)N1CC(C)CC(C)C1
InChIInChI=1S/C12H25N3O/c1-4-11(6-12(13)14-16)15-7-9(2)5-10(3)8-15/h9-11,16H,4-8H2,1-3H3,(H2,13,14)
InChIKeyFCGODMRVCKQTAW-UHFFFAOYSA-N
XLogP1.88
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.88
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 3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide (CID 43367915) is 3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide is CCC(C/C(N)=N/O)N1CC(C)CC(C)C1.
What is the InChIKey of 3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide?
The InChIKey is FCGODMRVCKQTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-4-11(6-12(13)14-16)15-7-9(2)5-10(3)8-15/h9-11,16H,4-8H2,1-3H3,(H2,13,14).
What are the key properties of 3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide?
3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperidin-1-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 43367915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).