1,4-dimethylpiperidin-3-one;ethane;methanimidamide

C10H23N3O — CID 90716272

IUPAC1,4-dimethylpiperidin-3-one;ethane;methanimidamide
SMILESCC.CC1CCN(C)CC1=O.[H]/N=C/N
InChIInChI=1S/C7H13NO.C2H6.CH4N2/c1-6-3-4-8(2)5-7(6)9;1-2;2-1-3/h6H,3-5H2,1-2H3;1-2H3;1H,(H3,2,3)
InChIKeyYHCXLMLIHCEGPA-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.11
Rot. Bonds

About 1,4-dimethylpiperidin-3-one;ethane;methanimidamide

1,4-dimethylpiperidin-3-one;ethane;methanimidamide (PubChem CID 90716272) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1,4-dimethylpiperidin-3-one;ethane;methanimidamide.

Molecular Properties

Compound Name1,4-dimethylpiperidin-3-one;ethane;methanimidamide
PubChem CID90716272
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1,4-dimethylpiperidin-3-one;ethane;methanimidamide
SMILESCC.CC1CCN(C)CC1=O.[H]/N=C/N
InChIInChI=1S/C7H13NO.C2H6.CH4N2/c1-6-3-4-8(2)5-7(6)9;1-2;2-1-3/h6H,3-5H2,1-2H3;1-2H3;1H,(H3,2,3)
InChIKeyYHCXLMLIHCEGPA-UHFFFAOYSA-N
XLogP1.11
TPSA70.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.11
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 1,4-dimethylpiperidin-3-one;ethane;methanimidamide?
The IUPAC name of 1,4-dimethylpiperidin-3-one;ethane;methanimidamide (CID 90716272) is 1,4-dimethylpiperidin-3-one;ethane;methanimidamide.
What is the SMILES notation for 1,4-dimethylpiperidin-3-one;ethane;methanimidamide?
The canonical SMILES for 1,4-dimethylpiperidin-3-one;ethane;methanimidamide is CC.CC1CCN(C)CC1=O.[H]/N=C/N.
What is the InChIKey of 1,4-dimethylpiperidin-3-one;ethane;methanimidamide?
The InChIKey is YHCXLMLIHCEGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6.CH4N2/c1-6-3-4-8(2)5-7(6)9;1-2;2-1-3/h6H,3-5H2,1-2H3;1-2H3;1H,(H3,2,3).
What are the key properties of 1,4-dimethylpiperidin-3-one;ethane;methanimidamide?
1,4-dimethylpiperidin-3-one;ethane;methanimidamide has a molecular weight of 201.31 g/mol, XLogP of 1.11, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylpiperidin-3-one;ethane;methanimidamide is sourced from PubChem (CID 90716272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).