4,4-diethoxy-1,2-dimethylpiperidine

C11H23NO2 — CID 45093899

IUPAC4,4-diethoxy-1,2-dimethylpiperidine
SMILESCCOC1(OCC)CCN(C)C(C)C1
InChIInChI=1S/C11H23NO2/c1-5-13-11(14-6-2)7-8-12(4)10(3)9-11/h10H,5-9H2,1-4H3
InChIKeyMFBRNSXIMLHTEI-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.87
Rot. Bonds4

About 4,4-diethoxy-1,2-dimethylpiperidine

4,4-diethoxy-1,2-dimethylpiperidine (PubChem CID 45093899) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 4,4-diethoxy-1,2-dimethylpiperidine.

Molecular Properties

Compound Name4,4-diethoxy-1,2-dimethylpiperidine
PubChem CID45093899
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name4,4-diethoxy-1,2-dimethylpiperidine
SMILESCCOC1(OCC)CCN(C)C(C)C1
InChIInChI=1S/C11H23NO2/c1-5-13-11(14-6-2)7-8-12(4)10(3)9-11/h10H,5-9H2,1-4H3
InChIKeyMFBRNSXIMLHTEI-UHFFFAOYSA-N
XLogP1.87
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4,4-diethoxy-1,2-dimethylpiperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-diethoxy-1,2-dimethylpiperidine?
The IUPAC name of 4,4-diethoxy-1,2-dimethylpiperidine (CID 45093899) is 4,4-diethoxy-1,2-dimethylpiperidine.
What is the SMILES notation for 4,4-diethoxy-1,2-dimethylpiperidine?
The canonical SMILES for 4,4-diethoxy-1,2-dimethylpiperidine is CCOC1(OCC)CCN(C)C(C)C1.
What is the InChIKey of 4,4-diethoxy-1,2-dimethylpiperidine?
The InChIKey is MFBRNSXIMLHTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-5-13-11(14-6-2)7-8-12(4)10(3)9-11/h10H,5-9H2,1-4H3.
What are the key properties of 4,4-diethoxy-1,2-dimethylpiperidine?
4,4-diethoxy-1,2-dimethylpiperidine has a molecular weight of 201.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethoxy-1,2-dimethylpiperidine is sourced from PubChem (CID 45093899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).