2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one

C21H33NO2 — CID 71374560

IUPAC2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one
SMILESCCC1(CC)CC(=O)CC(CC)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C21H33NO2/c1-6-20(7-2)15-19(23)16-21(8-3,9-4)22(20)24-17(5)18-13-11-10-12-14-18/h10-14,17H,6-9,15-16H2,1-5H3
InChIKeyXDNKFYXVAVAKEX-UHFFFAOYSA-N
MW331.50 g/mol
LogP5.46
Rot. Bonds7

About 2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one

2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one (PubChem CID 71374560) has the molecular formula C21H33NO2 and a molecular weight of 331.50 g/mol. Its IUPAC name is 2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one.

Molecular Properties

Compound Name2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one
PubChem CID71374560
Molecular FormulaC21H33NO2
Molecular Weight331.50 g/mol
Exact Mass331.25
IUPAC Name2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one
SMILESCCC1(CC)CC(=O)CC(CC)(CC)N1OC(C)c1ccccc1
InChIInChI=1S/C21H33NO2/c1-6-20(7-2)15-19(23)16-21(8-3,9-4)22(20)24-17(5)18-13-11-10-12-14-18/h10-14,17H,6-9,15-16H2,1-5H3
InChIKeyXDNKFYXVAVAKEX-UHFFFAOYSA-N
XLogP5.46
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.50
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one 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 2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one?
The IUPAC name of 2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one (CID 71374560) is 2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one.
What is the SMILES notation for 2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one?
The canonical SMILES for 2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one is CCC1(CC)CC(=O)CC(CC)(CC)N1OC(C)c1ccccc1.
What is the InChIKey of 2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one?
The InChIKey is XDNKFYXVAVAKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2/c1-6-20(7-2)15-19(23)16-21(8-3,9-4)22(20)24-17(5)18-13-11-10-12-14-18/h10-14,17H,6-9,15-16H2,1-5H3.
What are the key properties of 2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one?
2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one has a molecular weight of 331.50 g/mol, XLogP of 5.46, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetraethyl-1-(1-phenylethoxy)piperidin-4-one is sourced from PubChem (CID 71374560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).