ethyl 2-(3-methylpiperidin-1-yl)propanoate

C11H21NO2 — CID 25219169

IUPACethyl 2-(3-methylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CCCC(C)C1
InChIInChI=1S/C11H21NO2/c1-4-14-11(13)10(3)12-7-5-6-9(2)8-12/h9-10H,4-8H2,1-3H3
InChIKeyGKPBXOVUKKLFKG-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds3

About ethyl 2-(3-methylpiperidin-1-yl)propanoate

ethyl 2-(3-methylpiperidin-1-yl)propanoate (PubChem CID 25219169) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is ethyl 2-(3-methylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-methylpiperidin-1-yl)propanoate
PubChem CID25219169
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nameethyl 2-(3-methylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CCCC(C)C1
InChIInChI=1S/C11H21NO2/c1-4-14-11(13)10(3)12-7-5-6-9(2)8-12/h9-10H,4-8H2,1-3H3
InChIKeyGKPBXOVUKKLFKG-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3S)-3-methylpiperidin-1-yl]propanoic acid
CID 42307253
ethyl 2-[3-(3-ethoxy-3-oxopropyl)piperidin-1-yl]propanoate
CID 70373350
ethyl 2-(4-methylazepan-1-yl)pentanoate
CID 79002816
ethyl 2-piperidin-1-ylpropanoate;methanamine
CID 143433031
butyl 2-(3-hydroxypiperidin-1-yl)propanoate
CID 111461830
ethyl 2-(3-aminoazetidin-1-yl)propanoate
CID 65249905
tert-butyl 4-[1-(1-ethoxy-1-oxopropan-2-yl)piperidin-3-yl]piperidine-1-carboxylate
CID 169290062
methyl 2-methyl-3-(3-methylpiperidin-1-yl)butanoate
CID 79406800
ethyl 2-(4-cyclopentylpiperazin-1-yl)propanoate
CID 55063212
(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275461
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880
2-(3-methylpiperidin-1-yl)butanoic acid
CID 43235109

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methylpiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-(3-methylpiperidin-1-yl)propanoate (CID 25219169) is ethyl 2-(3-methylpiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(3-methylpiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(3-methylpiperidin-1-yl)propanoate is CCOC(=O)C(C)N1CCCC(C)C1.
What is the InChIKey of ethyl 2-(3-methylpiperidin-1-yl)propanoate?
The InChIKey is GKPBXOVUKKLFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-14-11(13)10(3)12-7-5-6-9(2)8-12/h9-10H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(3-methylpiperidin-1-yl)propanoate?
ethyl 2-(3-methylpiperidin-1-yl)propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methylpiperidin-1-yl)propanoate is sourced from PubChem (CID 25219169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).