3-(4-ethoxypiperidin-1-yl)pentanimidamide

C12H25N3O — CID 61219382

IUPAC3-(4-ethoxypiperidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(OCC)CC1
InChIInChI=1S/C12H25N3O/c1-3-10(9-12(13)14)15-7-5-11(6-8-15)16-4-2/h10-11H,3-9H2,1-2H3,(H3,13,14)
InChIKeyYLTGRLGBSGGLMM-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.59
Rot. Bonds6

About 3-(4-ethoxypiperidin-1-yl)pentanimidamide

3-(4-ethoxypiperidin-1-yl)pentanimidamide (PubChem CID 61219382) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 3-(4-ethoxypiperidin-1-yl)pentanimidamide.

Molecular Properties

Compound Name3-(4-ethoxypiperidin-1-yl)pentanimidamide
PubChem CID61219382
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name3-(4-ethoxypiperidin-1-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CCC(OCC)CC1
InChIInChI=1S/C12H25N3O/c1-3-10(9-12(13)14)15-7-5-11(6-8-15)16-4-2/h10-11H,3-9H2,1-2H3,(H3,13,14)
InChIKeyYLTGRLGBSGGLMM-UHFFFAOYSA-N
XLogP1.59
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.59
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxypiperidin-1-yl)pentanimidamide?
The IUPAC name of 3-(4-ethoxypiperidin-1-yl)pentanimidamide (CID 61219382) is 3-(4-ethoxypiperidin-1-yl)pentanimidamide.
What is the SMILES notation for 3-(4-ethoxypiperidin-1-yl)pentanimidamide?
The canonical SMILES for 3-(4-ethoxypiperidin-1-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CCC(OCC)CC1.
What is the InChIKey of 3-(4-ethoxypiperidin-1-yl)pentanimidamide?
The InChIKey is YLTGRLGBSGGLMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-10(9-12(13)14)15-7-5-11(6-8-15)16-4-2/h10-11H,3-9H2,1-2H3,(H3,13,14).
What are the key properties of 3-(4-ethoxypiperidin-1-yl)pentanimidamide?
3-(4-ethoxypiperidin-1-yl)pentanimidamide has a molecular weight of 227.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxypiperidin-1-yl)pentanimidamide is sourced from PubChem (CID 61219382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).