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

C11H21NO3 — CID 114502128

IUPACmethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate
SMILESCCC(C(=O)OC)C1(O)CCNCC1C
InChIInChI=1S/C11H21NO3/c1-4-9(10(13)15-3)11(14)5-6-12-7-8(11)2/h8-9,12,14H,4-7H2,1-3H3
InChIKeyBEBGPIPIMFMBFF-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.55
Rot. Bonds3

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

methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate (PubChem CID 114502128) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate
PubChem CID114502128
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate
SMILESCCC(C(=O)OC)C1(O)CCNCC1C
InChIInChI=1S/C11H21NO3/c1-4-9(10(13)15-3)11(14)5-6-12-7-8(11)2/h8-9,12,14H,4-7H2,1-3H3
InChIKeyBEBGPIPIMFMBFF-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate?
The IUPAC name of methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate (CID 114502128) is methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate.
What is the SMILES notation for methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate?
The canonical SMILES for methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate is CCC(C(=O)OC)C1(O)CCNCC1C.
What is the InChIKey of methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate?
The InChIKey is BEBGPIPIMFMBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-9(10(13)15-3)11(14)5-6-12-7-8(11)2/h8-9,12,14H,4-7H2,1-3H3.
What are the key properties of methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate?
methyl 2-(4-hydroxy-3-methylpiperidin-4-yl)butanoate has a molecular weight of 215.29 g/mol, XLogP of 0.55, 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)butanoate is sourced from PubChem (CID 114502128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).