(2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate

C16H27NO3 — CID 23338206

IUPAC(2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate
SMILESCC1(C)CC(OC(=O)C2CCCCC2=O)CC(C)(C)N1
InChIInChI=1S/C16H27NO3/c1-15(2)9-11(10-16(3,4)17-15)20-14(19)12-7-5-6-8-13(12)18/h11-12,17H,5-10H2,1-4H3
InChIKeyDFQIWQMJJXRXDM-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.60
Rot. Bonds2

About (2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate

(2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate (PubChem CID 23338206) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is (2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate.

Molecular Properties

Compound Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate
PubChem CID23338206
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name(2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate
SMILESCC1(C)CC(OC(=O)C2CCCCC2=O)CC(C)(C)N1
InChIInChI=1S/C16H27NO3/c1-15(2)9-11(10-16(3,4)17-15)20-14(19)12-7-5-6-8-13(12)18/h11-12,17H,5-10H2,1-4H3
InChIKeyDFQIWQMJJXRXDM-UHFFFAOYSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate?
The IUPAC name of (2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate (CID 23338206) is (2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate.
What is the SMILES notation for (2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate?
The canonical SMILES for (2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate is CC1(C)CC(OC(=O)C2CCCCC2=O)CC(C)(C)N1.
What is the InChIKey of (2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate?
The InChIKey is DFQIWQMJJXRXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-15(2)9-11(10-16(3,4)17-15)20-14(19)12-7-5-6-8-13(12)18/h11-12,17H,5-10H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate?
(2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate has a molecular weight of 281.40 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylpiperidin-4-yl) 2-oxocyclohexane-1-carboxylate is sourced from PubChem (CID 23338206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).