1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid

C20H35NO2 — CID 70530928

IUPAC1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid
SMILESCCC1(C)CC(C2(C(=O)O)CC=CCC2)C(C)C(C)(CC)N1C
InChIInChI=1S/C20H35NO2/c1-7-18(4)14-16(15(3)19(5,8-2)21(18)6)20(17(22)23)12-10-9-11-13-20/h9-10,15-16H,7-8,11-14H2,1-6H3,(H,22,23)
InChIKeyQAJQFUXZBSNMTO-UHFFFAOYSA-N
MW321.50 g/mol
LogP4.72
Rot. Bonds4

About 1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid

1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid (PubChem CID 70530928) has the molecular formula C20H35NO2 and a molecular weight of 321.50 g/mol. Its IUPAC name is 1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid
PubChem CID70530928
Molecular FormulaC20H35NO2
Molecular Weight321.50 g/mol
Exact Mass321.27
IUPAC Name1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid
SMILESCCC1(C)CC(C2(C(=O)O)CC=CCC2)C(C)C(C)(CC)N1C
InChIInChI=1S/C20H35NO2/c1-7-18(4)14-16(15(3)19(5,8-2)21(18)6)20(17(22)23)12-10-9-11-13-20/h9-10,15-16H,7-8,11-14H2,1-6H3,(H,22,23)
InChIKeyQAJQFUXZBSNMTO-UHFFFAOYSA-N
XLogP4.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.50
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid (CID 70530928) is 1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid is CCC1(C)CC(C2(C(=O)O)CC=CCC2)C(C)C(C)(CC)N1C.
What is the InChIKey of 1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid?
The InChIKey is QAJQFUXZBSNMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/c1-7-18(4)14-16(15(3)19(5,8-2)21(18)6)20(17(22)23)12-10-9-11-13-20/h9-10,15-16H,7-8,11-14H2,1-6H3,(H,22,23).
What are the key properties of 1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid?
1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid has a molecular weight of 321.50 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-diethyl-1,2,3,6-tetramethylpiperidin-4-yl)cyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 70530928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).