methyl 2-(4,4-dimethylpiperidin-1-yl)acetate

C10H19NO2 — CID 18736360

IUPACmethyl 2-(4,4-dimethylpiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(C)(C)CC1
InChIInChI=1S/C10H19NO2/c1-10(2)4-6-11(7-5-10)8-9(12)13-3/h4-8H2,1-3H3
InChIKeyJXPATLOBUFGUHW-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds2

About methyl 2-(4,4-dimethylpiperidin-1-yl)acetate

methyl 2-(4,4-dimethylpiperidin-1-yl)acetate (PubChem CID 18736360) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is methyl 2-(4,4-dimethylpiperidin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4,4-dimethylpiperidin-1-yl)acetate
PubChem CID18736360
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Namemethyl 2-(4,4-dimethylpiperidin-1-yl)acetate
SMILESCOC(=O)CN1CCC(C)(C)CC1
InChIInChI=1S/C10H19NO2/c1-10(2)4-6-11(7-5-10)8-9(12)13-3/h4-8H2,1-3H3
InChIKeyJXPATLOBUFGUHW-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,4-dimethylpiperidin-1-yl)acetate?
The IUPAC name of methyl 2-(4,4-dimethylpiperidin-1-yl)acetate (CID 18736360) is methyl 2-(4,4-dimethylpiperidin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4,4-dimethylpiperidin-1-yl)acetate?
The canonical SMILES for methyl 2-(4,4-dimethylpiperidin-1-yl)acetate is COC(=O)CN1CCC(C)(C)CC1.
What is the InChIKey of methyl 2-(4,4-dimethylpiperidin-1-yl)acetate?
The InChIKey is JXPATLOBUFGUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2)4-6-11(7-5-10)8-9(12)13-3/h4-8H2,1-3H3.
What are the key properties of methyl 2-(4,4-dimethylpiperidin-1-yl)acetate?
methyl 2-(4,4-dimethylpiperidin-1-yl)acetate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,4-dimethylpiperidin-1-yl)acetate is sourced from PubChem (CID 18736360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).