methyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate

C16H32N2O3 — CID 88999909

IUPACmethyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate
SMILESCCC1(C)CC(N)C(C)C(C)(CC)N1OC(C)C(=O)OC
InChIInChI=1S/C16H32N2O3/c1-8-15(5)10-13(17)11(3)16(6,9-2)18(15)21-12(4)14(19)20-7/h11-13H,8-10,17H2,1-7H3
InChIKeyLIZRYPUATOJTEY-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.49
Rot. Bonds5

About methyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate

methyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate (PubChem CID 88999909) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is methyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate
PubChem CID88999909
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Namemethyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate
SMILESCCC1(C)CC(N)C(C)C(C)(CC)N1OC(C)C(=O)OC
InChIInChI=1S/C16H32N2O3/c1-8-15(5)10-13(17)11(3)16(6,9-2)18(15)21-12(4)14(19)20-7/h11-13H,8-10,17H2,1-7H3
InChIKeyLIZRYPUATOJTEY-UHFFFAOYSA-N
XLogP2.49
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate?
The IUPAC name of methyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate (CID 88999909) is methyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate.
What is the SMILES notation for methyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate?
The canonical SMILES for methyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate is CCC1(C)CC(N)C(C)C(C)(CC)N1OC(C)C(=O)OC.
What is the InChIKey of methyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate?
The InChIKey is LIZRYPUATOJTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-8-15(5)10-13(17)11(3)16(6,9-2)18(15)21-12(4)14(19)20-7/h11-13H,8-10,17H2,1-7H3.
What are the key properties of methyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate?
methyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate has a molecular weight of 300.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-amino-2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)oxypropanoate is sourced from PubChem (CID 88999909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).