2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid

C17H31NO2 — CID 103961374

IUPAC2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid
SMILESCC1(C)CC(C)(C)CC(CC(=O)O)(N2CCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-15(2)11-16(3,4)13-17(12-15,10-14(19)20)18-8-6-5-7-9-18/h5-13H2,1-4H3,(H,19,20)
InChIKeyCBNBKYXAWQFOEY-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.92
Rot. Bonds3

About 2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid

2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid (PubChem CID 103961374) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid.

Molecular Properties

Compound Name2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid
PubChem CID103961374
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid
SMILESCC1(C)CC(C)(C)CC(CC(=O)O)(N2CCCCC2)C1
InChIInChI=1S/C17H31NO2/c1-15(2)11-16(3,4)13-17(12-15,10-14(19)20)18-8-6-5-7-9-18/h5-13H2,1-4H3,(H,19,20)
InChIKeyCBNBKYXAWQFOEY-UHFFFAOYSA-N
XLogP3.92
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid?
The IUPAC name of 2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid (CID 103961374) is 2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid.
What is the SMILES notation for 2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid?
The canonical SMILES for 2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid is CC1(C)CC(C)(C)CC(CC(=O)O)(N2CCCCC2)C1.
What is the InChIKey of 2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid?
The InChIKey is CBNBKYXAWQFOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-15(2)11-16(3,4)13-17(12-15,10-14(19)20)18-8-6-5-7-9-18/h5-13H2,1-4H3,(H,19,20).
What are the key properties of 2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid?
2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid has a molecular weight of 281.44 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,5,5-tetramethyl-1-piperidin-1-ylcyclohexyl)acetic acid is sourced from PubChem (CID 103961374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).