3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide

C12H25N3O — CID 43266529

IUPAC3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide
SMILESCCC1CCCCN1C(CC)C/C(N)=N/O
InChIInChI=1S/C12H25N3O/c1-3-10-7-5-6-8-15(10)11(4-2)9-12(13)14-16/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyBKHHIWYSQQXVDQ-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.17
Rot. Bonds5

About 3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide

3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide (PubChem CID 43266529) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide.

Molecular Properties

Compound Name3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide
PubChem CID43266529
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide
SMILESCCC1CCCCN1C(CC)C/C(N)=N/O
InChIInChI=1S/C12H25N3O/c1-3-10-7-5-6-8-15(10)11(4-2)9-12(13)14-16/h10-11,16H,3-9H2,1-2H3,(H2,13,14)
InChIKeyBKHHIWYSQQXVDQ-UHFFFAOYSA-N
XLogP2.17
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.17
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'}

Analyze 3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-2-(2-ethylpiperidin-1-yl)propan-1-ol
CID 104710817
3-[2-(2-hydroxyethyl)piperidin-1-yl]pentanimidamide
CID 43368010
3-(3-ethyl-4-methylpiperazin-1-yl)-N'-hydroxypentanimidamide
CID 77000767
2-(2-ethylazepan-1-yl)butanamide
CID 104691437
N'-hydroxy-3-(4-propylpiperidin-1-yl)pentanimidamide
CID 76937110
N-[2-(2-ethylazepan-1-yl)butyl]cyclopropanamine
CID 113441989
N'-hydroxy-3-[4-(trifluoromethyl)piperidin-1-yl]pentanimidamide
CID 77073341
3-(2,2-dimethylpyrrolidin-1-yl)-N'-hydroxypentanimidamide
CID 76987382
3-(2-ethylazepan-1-yl)butanimidamide
CID 104690079
2-(2-ethylazepan-1-yl)-4,4-dimethylpentan-1-amine
CID 104689222
2-(2-ethylpiperidin-1-yl)nonan-1-amine
CID 43266376
N'-hydroxy-3-[2-(hydroxymethyl)pyrrolidin-1-yl]butanimidamide
CID 61407767

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide?
The IUPAC name of 3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide (CID 43266529) is 3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide.
What is the SMILES notation for 3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide?
The canonical SMILES for 3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide is CCC1CCCCN1C(CC)C/C(N)=N/O.
What is the InChIKey of 3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide?
The InChIKey is BKHHIWYSQQXVDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-10-7-5-6-8-15(10)11(4-2)9-12(13)14-16/h10-11,16H,3-9H2,1-2H3,(H2,13,14).
What are the key properties of 3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide?
3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidin-1-yl)-N'-hydroxypentanimidamide is sourced from PubChem (CID 43266529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).