methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate

C12H23NO3 — CID 114502129

IUPACmethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate
SMILESCOC(=O)C(C(C)C)C1(O)CCNCC1C
InChIInChI=1S/C12H23NO3/c1-8(2)10(11(14)16-4)12(15)5-6-13-7-9(12)3/h8-10,13,15H,5-7H2,1-4H3
InChIKeyDSJPHMLUKXHBIT-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.79
Rot. Bonds3

About methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate

methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate (PubChem CID 114502129) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate
PubChem CID114502129
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Namemethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate
SMILESCOC(=O)C(C(C)C)C1(O)CCNCC1C
InChIInChI=1S/C12H23NO3/c1-8(2)10(11(14)16-4)12(15)5-6-13-7-9(12)3/h8-10,13,15H,5-7H2,1-4H3
InChIKeyDSJPHMLUKXHBIT-UHFFFAOYSA-N
XLogP0.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate?
The IUPAC name of methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate (CID 114502129) is methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate.
What is the SMILES notation for methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate?
The canonical SMILES for methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate is COC(=O)C(C(C)C)C1(O)CCNCC1C.
What is the InChIKey of methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate?
The InChIKey is DSJPHMLUKXHBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-8(2)10(11(14)16-4)12(15)5-6-13-7-9(12)3/h8-10,13,15H,5-7H2,1-4H3.
What are the key properties of methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate?
methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate has a molecular weight of 229.32 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)-3-methylbutanoate is sourced from PubChem (CID 114502129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).