ethyl 2-(4-ethylpiperidin-4-yl)acetate

C11H21NO2 — CID 167523554

IUPACethyl 2-(4-ethylpiperidin-4-yl)acetate
SMILESCCOC(=O)CC1(CC)CCNCC1
InChIInChI=1S/C11H21NO2/c1-3-11(5-7-12-8-6-11)9-10(13)14-4-2/h12H,3-9H2,1-2H3
InChIKeySHMYLCYFNFPPNR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds4

About ethyl 2-(4-ethylpiperidin-4-yl)acetate

ethyl 2-(4-ethylpiperidin-4-yl)acetate (PubChem CID 167523554) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-(4-ethylpiperidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-ethylpiperidin-4-yl)acetate
PubChem CID167523554
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-(4-ethylpiperidin-4-yl)acetate
SMILESCCOC(=O)CC1(CC)CCNCC1
InChIInChI=1S/C11H21NO2/c1-3-11(5-7-12-8-6-11)9-10(13)14-4-2/h12H,3-9H2,1-2H3
InChIKeySHMYLCYFNFPPNR-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4-ethylpiperidin-4-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
methyl 2-(3-ethylpyrrolidin-3-yl)acetate
CID 165479057
methyl 2-[4-(hydroxymethyl)piperidin-4-yl]acetate
CID 105442614
ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate
CID 114502124
4,4-diethylpiperidine;hydrochloride
CID 75419509
ethyl 2-[1-[(piperidine-4-carbonylamino)methyl]cyclohexyl]acetate
CID 11220628
ethyl 2-(3-hydroxyazetidin-3-yl)acetate
CID 125041879
ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride
CID 163342200
(3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-ethylpiperidine-4-carboxylic acid
CID 97305809
ethyl 4-acetylpiperidine-4-carboxylate
CID 79001872
ethyl 2-(1-amino-3,3-dimethylcyclopentyl)acetate
CID 80699029
ethyl 2-[(4-methoxypiperidine-4-carbonyl)amino]acetate
CID 119706107

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-ethylpiperidin-4-yl)acetate?
The IUPAC name of ethyl 2-(4-ethylpiperidin-4-yl)acetate (CID 167523554) is ethyl 2-(4-ethylpiperidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(4-ethylpiperidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(4-ethylpiperidin-4-yl)acetate is CCOC(=O)CC1(CC)CCNCC1.
What is the InChIKey of ethyl 2-(4-ethylpiperidin-4-yl)acetate?
The InChIKey is SHMYLCYFNFPPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-11(5-7-12-8-6-11)9-10(13)14-4-2/h12H,3-9H2,1-2H3.
What are the key properties of ethyl 2-(4-ethylpiperidin-4-yl)acetate?
ethyl 2-(4-ethylpiperidin-4-yl)acetate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-ethylpiperidin-4-yl)acetate is sourced from PubChem (CID 167523554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).