methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate

C10H19NO3 — CID 131493878

IUPACmethyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N1CCC(O)CC1
InChIInChI=1S/C10H19NO3/c1-10(2,9(13)14-3)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3
InChIKeyDTYHQRDZENSXIM-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.39
Rot. Bonds2

About methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate

methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate (PubChem CID 131493878) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate
PubChem CID131493878
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate
SMILESCOC(=O)C(C)(C)N1CCC(O)CC1
InChIInChI=1S/C10H19NO3/c1-10(2,9(13)14-3)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3
InChIKeyDTYHQRDZENSXIM-UHFFFAOYSA-N
XLogP0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Propionic acid, 2-methyl-2-piperidino-, methyl ester
CID 3058841
Ethyl 2-(4-hydroxypiperidin-1-yl)acetate
CID 28837749
Methyl 2-(4-hydroxypiperidin-1-yl)acetate
CID 28837753
Ethyl 2-(3-hydroxypiperidin-1-yl)acetate
CID 50988010
2-Methyl-2-(piperidin-1-yl)propanoic acid
CID 19965467
Ethyl 2-(4-hydroxy-1-methyl-piperidin-1-ium-1-yl)acetate
CID 428674
Ethyl 2-(4-hydroxy-1-methylpiperidin-1-ium-1-yl)acetate iodide
CID 24196894
tert-Butyl 2-(4-hydroxypiperidin-1-yl)acetate
CID 11183510
Ethyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate
CID 13841720
Methyl 2-(4-hydroxypiperidin-1-yl)propanoate
CID 19780667
Methyl 2-(4-hydroxy-2,2,6,6-tetramethylpiperidin-1-yl)acetate
CID 20562907
2-(2,6-Dimethylmorpholin-4-yl)-2-methylpropanoic acid
CID 22683151

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate?
The IUPAC name of methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate (CID 131493878) is methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate.
What is the SMILES notation for methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate?
The canonical SMILES for methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate is COC(=O)C(C)(C)N1CCC(O)CC1.
What is the InChIKey of methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate?
The InChIKey is DTYHQRDZENSXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,9(13)14-3)11-6-4-8(12)5-7-11/h8,12H,4-7H2,1-3H3.
What are the key properties of methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate?
methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate has a molecular weight of 201.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxypiperidin-1-yl)-2-methylpropanoate is sourced from PubChem (CID 131493878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).