ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate

C11H21NO3 — CID 12535231

IUPACethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate
SMILESCCOC(=O)CC(O)C1CCN(C)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-11(14)8-10(13)9-4-6-12(2)7-5-9/h9-10,13H,3-8H2,1-2H3
InChIKeyGSFWVDBBHLLKAI-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds4

About ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate

ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate (PubChem CID 12535231) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate
PubChem CID12535231
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate
SMILESCCOC(=O)CC(O)C1CCN(C)CC1
InChIInChI=1S/C11H21NO3/c1-3-15-11(14)8-10(13)9-4-6-12(2)7-5-9/h9-10,13H,3-8H2,1-2H3
InChIKeyGSFWVDBBHLLKAI-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-hydroxy-4-[methyl-(1-methylpiperidin-4-yl)amino]butanoate
CID 82776528
ethyl 2-[1-(1-methylpiperidin-4-yl)ethylamino]acetate
CID 60811226
(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
CID 143640316
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate;tert-butyl 4-(3-ethoxy-1-hydroxy-3-oxopropyl)piperidine-1-carboxylate
CID 159306829
ethyl (3S)-3-hydroxy-3-[(3S)-oxan-3-yl]propanoate
CID 124508739
(2-ethoxy-2-oxoethyl) 2-(1-methylpiperidin-4-yl)acetate
CID 59843350
ethyl 3-[methyl-(1-methylpiperidin-4-yl)amino]-3-oxopropanoate
CID 110465418
1-(1-methylpiperidin-4-yl)-2-sulfanylethanol
CID 117238993
ethyl 1-methylpiperidine-4-carboxylate;hydrochloride
CID 52991957
ethyl 4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoate
CID 103251512
propan-2-yl 3-cyclopropyl-3-hydroxypropanoate
CID 171366843
ethyl 3-cyclopropylbutanoate
CID 47078610

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate?
The IUPAC name of ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate (CID 12535231) is ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate.
What is the SMILES notation for ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate?
The canonical SMILES for ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate is CCOC(=O)CC(O)C1CCN(C)CC1.
What is the InChIKey of ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate?
The InChIKey is GSFWVDBBHLLKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-15-11(14)8-10(13)9-4-6-12(2)7-5-9/h9-10,13H,3-8H2,1-2H3.
What are the key properties of ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate?
ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate has a molecular weight of 215.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate is sourced from PubChem (CID 12535231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).