methyl 3-(2-methylpiperidin-1-yl)butanoate

C11H21NO2 — CID 43537243

IUPACmethyl 3-(2-methylpiperidin-1-yl)butanoate
SMILESCOC(=O)CC(C)N1CCCCC1C
InChIInChI=1S/C11H21NO2/c1-9-6-4-5-7-12(9)10(2)8-11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyRTEUWNPSJYCTJJ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.81
Rot. Bonds3

About methyl 3-(2-methylpiperidin-1-yl)butanoate

methyl 3-(2-methylpiperidin-1-yl)butanoate (PubChem CID 43537243) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 3-(2-methylpiperidin-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 3-(2-methylpiperidin-1-yl)butanoate
PubChem CID43537243
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 3-(2-methylpiperidin-1-yl)butanoate
SMILESCOC(=O)CC(C)N1CCCCC1C
InChIInChI=1S/C11H21NO2/c1-9-6-4-5-7-12(9)10(2)8-11(13)14-3/h9-10H,4-8H2,1-3H3
InChIKeyRTEUWNPSJYCTJJ-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylpiperidin-1-yl)butanoate?
The IUPAC name of methyl 3-(2-methylpiperidin-1-yl)butanoate (CID 43537243) is methyl 3-(2-methylpiperidin-1-yl)butanoate.
What is the SMILES notation for methyl 3-(2-methylpiperidin-1-yl)butanoate?
The canonical SMILES for methyl 3-(2-methylpiperidin-1-yl)butanoate is COC(=O)CC(C)N1CCCCC1C.
What is the InChIKey of methyl 3-(2-methylpiperidin-1-yl)butanoate?
The InChIKey is RTEUWNPSJYCTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-6-4-5-7-12(9)10(2)8-11(13)14-3/h9-10H,4-8H2,1-3H3.
What are the key properties of methyl 3-(2-methylpiperidin-1-yl)butanoate?
methyl 3-(2-methylpiperidin-1-yl)butanoate has a molecular weight of 199.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylpiperidin-1-yl)butanoate is sourced from PubChem (CID 43537243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).