4,4-diethoxy-2,2-dimethylpiperidine

C11H23NO2 — CID 166543313

IUPAC4,4-diethoxy-2,2-dimethylpiperidine
SMILESCCOC1(OCC)CCNC(C)(C)C1
InChIInChI=1S/C11H23NO2/c1-5-13-11(14-6-2)7-8-12-10(3,4)9-11/h12H,5-9H2,1-4H3
InChIKeyJASNSIABVUFEHU-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.92
Rot. Bonds4

About 4,4-diethoxy-2,2-dimethylpiperidine

4,4-diethoxy-2,2-dimethylpiperidine (PubChem CID 166543313) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4,4-diethoxy-2,2-dimethylpiperidine.

Molecular Properties

Compound Name4,4-diethoxy-2,2-dimethylpiperidine
PubChem CID166543313
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4,4-diethoxy-2,2-dimethylpiperidine
SMILESCCOC1(OCC)CCNC(C)(C)C1
InChIInChI=1S/C11H23NO2/c1-5-13-11(14-6-2)7-8-12-10(3,4)9-11/h12H,5-9H2,1-4H3
InChIKeyJASNSIABVUFEHU-UHFFFAOYSA-N
XLogP1.92
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethoxy-2,2-dimethylpiperidine?
The IUPAC name of 4,4-diethoxy-2,2-dimethylpiperidine (CID 166543313) is 4,4-diethoxy-2,2-dimethylpiperidine.
What is the SMILES notation for 4,4-diethoxy-2,2-dimethylpiperidine?
The canonical SMILES for 4,4-diethoxy-2,2-dimethylpiperidine is CCOC1(OCC)CCNC(C)(C)C1.
What is the InChIKey of 4,4-diethoxy-2,2-dimethylpiperidine?
The InChIKey is JASNSIABVUFEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-13-11(14-6-2)7-8-12-10(3,4)9-11/h12H,5-9H2,1-4H3.
What are the key properties of 4,4-diethoxy-2,2-dimethylpiperidine?
4,4-diethoxy-2,2-dimethylpiperidine has a molecular weight of 201.31 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethoxy-2,2-dimethylpiperidine is sourced from PubChem (CID 166543313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).