ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate

C12H23NO2 — CID 121001595

IUPACethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate
SMILESCCOC(=O)CC1CC(C)NC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-5-15-11(14)7-10-6-9(2)13-12(3,4)8-10/h9-10,13H,5-8H2,1-4H3
InChIKeyMWDXTZDMFTXGJQ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds3

About ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate

ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate (PubChem CID 121001595) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate
PubChem CID121001595
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nameethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate
SMILESCCOC(=O)CC1CC(C)NC(C)(C)C1
InChIInChI=1S/C12H23NO2/c1-5-15-11(14)7-10-6-9(2)13-12(3,4)8-10/h9-10,13H,5-8H2,1-4H3
InChIKeyMWDXTZDMFTXGJQ-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,2,6,6-tetramethyloxan-4-yl)acetate
CID 54474466
ethyl 2-(4-bromocyclohexyl)acetate
CID 54545940
ethyl 2-(4,4-dimethylcyclohexyl)acetate
CID 23001036
ethyl 2-[(2R,6R)-2,6-dimethyloxan-4-yl]acetate
CID 58938909
ethyl 2-(2,2,4-trimethylcyclopentyl)acetate
CID 54404876
ethyl 2-[4-(aminomethyl)cyclohexyl]acetate
CID 70333182
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
ethyl 2-(2-azaspiro[3.3]heptan-6-yl)acetate;2,2,2-trifluoroacetic acid
CID 166604463
ethyl 2-[(1R,2S)-2-hydroxy-3-methylcyclobutyl]acetate
CID 100980301
ethyl 2-(azetidin-3-yl)acetate;formic acid
CID 70080639
ethyl 2-[1-[(3-methylpyrrolidin-3-yl)methyl]piperidin-4-yl]acetate
CID 120898616
ethyl 2-(azocan-5-yl)acetate
CID 123423074

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate?
The IUPAC name of ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate (CID 121001595) is ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate is CCOC(=O)CC1CC(C)NC(C)(C)C1.
What is the InChIKey of ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate?
The InChIKey is MWDXTZDMFTXGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-15-11(14)7-10-6-9(2)13-12(3,4)8-10/h9-10,13H,5-8H2,1-4H3.
What are the key properties of ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate?
ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,2,6-trimethylpiperidin-4-yl)acetate is sourced from PubChem (CID 121001595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).