ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate

C10H19NO3 — CID 114502124

IUPACethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate
SMILESCCOC(=O)CC1(O)CCNCC1C
InChIInChI=1S/C10H19NO3/c1-3-14-9(12)6-10(13)4-5-11-7-8(10)2/h8,11,13H,3-7H2,1-2H3
InChIKeyPWCGCOZIXOYCGX-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.30
Rot. Bonds3

About ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate

ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate (PubChem CID 114502124) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate
PubChem CID114502124
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nameethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate
SMILESCCOC(=O)CC1(O)CCNCC1C
InChIInChI=1S/C10H19NO3/c1-3-14-9(12)6-10(13)4-5-11-7-8(10)2/h8,11,13H,3-7H2,1-2H3
InChIKeyPWCGCOZIXOYCGX-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate
CID 114502131
(3R,4R)-4-(2-ethoxy-2-oxoethyl)-3-ethylpiperidine-4-carboxylic acid
CID 97305809
ethyl 2-(4-ethylpiperidin-4-yl)acetate
CID 167523554
ethyl 2-(3-hydroxyazetidin-3-yl)acetate
CID 125041879
ethyl 3-methyl-4-(propan-2-ylamino)piperidine-4-carboxylate
CID 114500523
methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate
CID 114502128
ethyl 2-(3-hydroxypiperidin-3-yl)acetate;hydrochloride
CID 163342200
ethyl 2-[(1R,2S,5S)-2-hydroxy-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]acetate
CID 139266075
ethyl 2-(2-hydroxy-2-bicyclo[2.2.1]heptanyl)acetate
CID 14958327
ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate
CID 114510592
ethyl 2-[1-(2-ethoxy-2-oxoethyl)cyclobutyl]acetate
CID 12530959
4-(ethylamino)-3-methylpiperidine-4-carboxamide
CID 114499589

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate?
The IUPAC name of ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate (CID 114502124) is ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate is CCOC(=O)CC1(O)CCNCC1C.
What is the InChIKey of ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate?
The InChIKey is PWCGCOZIXOYCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-14-9(12)6-10(13)4-5-11-7-8(10)2/h8,11,13H,3-7H2,1-2H3.
What are the key properties of ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate?
ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate has a molecular weight of 201.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)acetate is sourced from PubChem (CID 114502124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).