ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate

C11H21NO2 — CID 51697484

IUPACethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCCC[C@@H]1CC
InChIInChI=1S/C11H21NO2/c1-3-10-7-5-6-8-12(10)9-11(13)14-4-2/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyMBBPTLVGQAXZQX-JTQLQIEISA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds4

About ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate

ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate (PubChem CID 51697484) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate
PubChem CID51697484
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCCC[C@@H]1CC
InChIInChI=1S/C11H21NO2/c1-3-10-7-5-6-8-12(10)9-11(13)14-4-2/h10H,3-9H2,1-2H3/t10-/m0/s1
InChIKeyMBBPTLVGQAXZQX-JTQLQIEISA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(2-hydroxypropyl)piperidin-1-yl]acetate
CID 114338113
1-cyclopentyl-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 104750099
1-(2-ethylazepan-1-yl)butan-2-one
CID 104690718
tert-butyl 2-(2-ethylpyrrolidin-1-yl)acetate
CID 67953868
2-(2-ethylpiperidin-1-yl)-N-methylacetamide
CID 130635124
ethyl 2-amino-4-(2-ethylpiperidin-1-yl)butanoate
CID 63027661
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
ethyl 1-amino-2-[2-(2-ethylpiperidin-1-yl)ethyl]cyclopentane-1-carboxylate
CID 79577754
4-(2-ethylazepan-1-yl)-3-methylbut-2-enoic acid
CID 104690512
1-[(2R)-2-ethylpiperidin-1-yl]-2-[(2R)-2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 94249392
hydrazinyl 3-(2-ethylpiperidin-1-yl)propanoate
CID 66337668
N-(3-amino-3-sulfanylidenepropyl)-2-(2-ethylpiperidin-1-yl)-N-methylacetamide
CID 43290617

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate (CID 51697484) is ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate is CCOC(=O)CN1CCCC[C@@H]1CC.
What is the InChIKey of ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate?
The InChIKey is MBBPTLVGQAXZQX-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-10-7-5-6-8-12(10)9-11(13)14-4-2/h10H,3-9H2,1-2H3/t10-/m0/s1.
What are the key properties of ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate?
ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate has a molecular weight of 199.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2S)-2-ethylpiperidin-1-yl]acetate is sourced from PubChem (CID 51697484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).