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

C16H27NO2 — CID 18459641

IUPAC2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid
SMILESCC1(C)C=C(N2CCCCC2)CC(C)(C)C1C(=O)O
InChIInChI=1S/C16H27NO2/c1-15(2)10-12(17-8-6-5-7-9-17)11-16(3,4)13(15)14(18)19/h10,13H,5-9,11H2,1-4H3,(H,18,19)
InChIKeyKSAQJMKQPSIYHK-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.51
Rot. Bonds2

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

2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid (PubChem CID 18459641) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid
PubChem CID18459641
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid
SMILESCC1(C)C=C(N2CCCCC2)CC(C)(C)C1C(=O)O
InChIInChI=1S/C16H27NO2/c1-15(2)10-12(17-8-6-5-7-9-17)11-16(3,4)13(15)14(18)19/h10,13H,5-9,11H2,1-4H3,(H,18,19)
InChIKeyKSAQJMKQPSIYHK-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid (CID 18459641) is 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid is CC1(C)C=C(N2CCCCC2)CC(C)(C)C1C(=O)O.
What is the InChIKey of 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is KSAQJMKQPSIYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-15(2)10-12(17-8-6-5-7-9-17)11-16(3,4)13(15)14(18)19/h10,13H,5-9,11H2,1-4H3,(H,18,19).
What are the key properties of 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid?
2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 265.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-4-piperidin-1-ylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 18459641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).