ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate

C17H31NO2 — CID 106664184

IUPACethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate
SMILESCCOC(=O)CC1(N2CCCCC2)CC(C)(C)CC1C
InChIInChI=1S/C17H31NO2/c1-5-20-15(19)12-17(18-9-7-6-8-10-18)13-16(3,4)11-14(17)2/h14H,5-13H2,1-4H3
InChIKeyRESCYYNVNJSOBP-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.62
Rot. Bonds4

About ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate

ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate (PubChem CID 106664184) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate
PubChem CID106664184
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Nameethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate
SMILESCCOC(=O)CC1(N2CCCCC2)CC(C)(C)CC1C
InChIInChI=1S/C17H31NO2/c1-5-20-15(19)12-17(18-9-7-6-8-10-18)13-16(3,4)11-14(17)2/h14H,5-13H2,1-4H3
InChIKeyRESCYYNVNJSOBP-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(2,4,4-trimethyl-1-morpholin-4-ylcyclopentyl)acetate
CID 106664180
ethyl 2-[1-(azepan-1-yl)-2-methylcyclopentyl]acetate
CID 65050126
ethyl 2-(2,5-dimethyl-1-pyrrolidin-1-ylcyclohexyl)acetate
CID 64755856
ethyl 2-(1,5-dimethyl-3-piperidin-1-ylpyrrolidin-3-yl)acetate
CID 81468053
ethyl 2-[1-(azepan-1-yl)-2,2-dimethylcyclopentyl]acetate
CID 79862178
ethyl 2-(1-piperidin-1-yl-3-propan-2-ylcyclobutyl)acetate
CID 103565026
ethyl 2-(2,2,5,5-tetramethyl-3-pyrrolidin-1-yloxolan-3-yl)acetate
CID 79934488
ethyl 2-(4-piperidin-1-yloxan-4-yl)acetate
CID 64539283
ethyl 2-[2-methyl-3-(4-methylpiperazin-1-yl)thian-3-yl]acetate
CID 79951486
ethyl 2-[1-(dimethylamino)-2,4,4-trimethylcyclohexyl]acetate
CID 81315503
ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate
CID 80699029
ethyl 2-(8-pyrrolidin-1-ylspiro[4.5]decan-8-yl)acetate
CID 114820573

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate?
The IUPAC name of ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate (CID 106664184) is ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate.
What is the SMILES notation for ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate?
The canonical SMILES for ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate is CCOC(=O)CC1(N2CCCCC2)CC(C)(C)CC1C.
What is the InChIKey of ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate?
The InChIKey is RESCYYNVNJSOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-5-20-15(19)12-17(18-9-7-6-8-10-18)13-16(3,4)11-14(17)2/h14H,5-13H2,1-4H3.
What are the key properties of ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate?
ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate has a molecular weight of 281.44 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4,4-trimethyl-1-piperidin-1-ylcyclopentyl)acetate is sourced from PubChem (CID 106664184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).