methyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate

C11H21NO3 — CID 71077853

IUPACmethyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate
SMILESCOC(=O)C(C)(C)COC1CCNCC1
InChIInChI=1S/C11H21NO3/c1-11(2,10(13)14-3)8-15-9-4-6-12-7-5-9/h9,12H,4-8H2,1-3H3
InChIKeyUSFDDLJWZFDFNT-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.95
Rot. Bonds4

About methyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate

methyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate (PubChem CID 71077853) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate
PubChem CID71077853
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate
SMILESCOC(=O)C(C)(C)COC1CCNCC1
InChIInChI=1S/C11H21NO3/c1-11(2,10(13)14-3)8-15-9-4-6-12-7-5-9/h9,12H,4-8H2,1-3H3
InChIKeyUSFDDLJWZFDFNT-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate?
The IUPAC name of methyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate (CID 71077853) is methyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate.
What is the SMILES notation for methyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate?
The canonical SMILES for methyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate is COC(=O)C(C)(C)COC1CCNCC1.
What is the InChIKey of methyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate?
The InChIKey is USFDDLJWZFDFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,10(13)14-3)8-15-9-4-6-12-7-5-9/h9,12H,4-8H2,1-3H3.
What are the key properties of methyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate?
methyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate has a molecular weight of 215.29 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-piperidin-4-yloxypropanoate is sourced from PubChem (CID 71077853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).