(1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate

C14H27NO2 — CID 58545307

IUPAC(1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC(C)N(C)C(C)C1
InChIInChI=1S/C14H27NO2/c1-7-14(4,5)13(16)17-12-8-10(2)15(6)11(3)9-12/h10-12H,7-9H2,1-6H3
InChIKeyGDCJMVBZLYXEAY-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.84
Rot. Bonds3

About (1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate

(1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate (PubChem CID 58545307) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate.

Molecular Properties

Compound Name(1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate
PubChem CID58545307
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate
SMILESCCC(C)(C)C(=O)OC1CC(C)N(C)C(C)C1
InChIInChI=1S/C14H27NO2/c1-7-14(4,5)13(16)17-12-8-10(2)15(6)11(3)9-12/h10-12H,7-9H2,1-6H3
InChIKeyGDCJMVBZLYXEAY-UHFFFAOYSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4,5-trimethylcyclohexyl) 2,2-dimethylbutanoate
CID 167692238
sulfanyl 4-(2,2-dimethylbutanoyloxy)-2,6-dimethylpiperidine-1-carboxylate;sulfanyl 4-(2,2-dimethylbutanoyloxy)-2,2,6,6-tetramethylpiperidine-1-carboxylate
CID 123754573
[3,5-bis(2,2-dimethylpropoxymethoxy)-4-methylcyclohexyl] 2,2-dimethylbutanoate
CID 89280164
[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-5-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate
CID 58925469
methane;piperidin-4-yl 2,2-dimethylbutanoate
CID 158089373
[4-(1-ethoxyethoxy)cyclohexyl] 2,2-dimethylbutanoate
CID 58040859
(2,2,6,6-tetramethylpiperidin-1-ium-4-yl) 2,2-dimethylbutanoate
CID 154612041
(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl) 2,2-dimethylbutanoate
CID 18336307
(4-cyanocyclohexyl) 2,2-dimethylbutanoate
CID 58030563
[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-hydroxy-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)cyclohexyl] 2,2-dimethylbutanoate
CID 58455658
[4-(1,1,3,3,3-pentafluoro-2-hydroxypropyl)cyclohexyl] 2,2-dimethylbutanoate
CID 59837076
[3,5-bis[(2-bromo-2-methylpropanoyl)oxy]cyclohexyl] 2-bromo-2-methylpropanoate
CID 58637398

Frequently Asked Questions

What is the IUPAC name of (1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate?
The IUPAC name of (1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate (CID 58545307) is (1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate.
What is the SMILES notation for (1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate?
The canonical SMILES for (1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate is CCC(C)(C)C(=O)OC1CC(C)N(C)C(C)C1.
What is the InChIKey of (1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate?
The InChIKey is GDCJMVBZLYXEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-7-14(4,5)13(16)17-12-8-10(2)15(6)11(3)9-12/h10-12H,7-9H2,1-6H3.
What are the key properties of (1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate?
(1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate has a molecular weight of 241.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,6-trimethylpiperidin-4-yl) 2,2-dimethylbutanoate is sourced from PubChem (CID 58545307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).