2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid

C20H35NO2 — CID 57171118

IUPAC2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid
SMILESCCC1(C)CC(N2CCCCC2)=C(C)C(C)(CC)C1(C)C(=O)O
InChIInChI=1S/C20H35NO2/c1-7-18(4)14-16(21-12-10-9-11-13-21)15(3)19(5,8-2)20(18,6)17(22)23/h7-14H2,1-6H3,(H,22,23)
InChIKeyMMEFCYSLHKYKOF-UHFFFAOYSA-N
MW321.51 g/mol
LogP5.07
Rot. Bonds4

About 2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid

2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid (PubChem CID 57171118) has the molecular formula C20H35NO2 and a molecular weight of 321.51 g/mol. Its IUPAC name is 2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid
PubChem CID57171118
Molecular FormulaC20H35NO2
Molecular Weight321.51 g/mol
Exact Mass321.27
IUPAC Name2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid
SMILESCCC1(C)CC(N2CCCCC2)=C(C)C(C)(CC)C1(C)C(=O)O
InChIInChI=1S/C20H35NO2/c1-7-18(4)14-16(21-12-10-9-11-13-21)15(3)19(5,8-2)20(18,6)17(22)23/h7-14H2,1-6H3,(H,22,23)
InChIKeyMMEFCYSLHKYKOF-UHFFFAOYSA-N
XLogP5.07
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.51
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid 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 2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid (CID 57171118) is 2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid is CCC1(C)CC(N2CCCCC2)=C(C)C(C)(CC)C1(C)C(=O)O.
What is the InChIKey of 2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is MMEFCYSLHKYKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/c1-7-18(4)14-16(21-12-10-9-11-13-21)15(3)19(5,8-2)20(18,6)17(22)23/h7-14H2,1-6H3,(H,22,23).
What are the key properties of 2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid?
2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 321.51 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethyl-1,2,3,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 57171118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).