ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate

C16H31NO2 — CID 22754596

IUPACethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate
SMILESCCOC(=O)CN1C(C)(CC)CCC(C)C1(C)CC
InChIInChI=1S/C16H31NO2/c1-7-15(5)11-10-13(4)16(6,8-2)17(15)12-14(18)19-9-3/h13H,7-12H2,1-6H3
InChIKeyZKZABKCMGHQHJI-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.62
Rot. Bonds5

About ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate

ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate (PubChem CID 22754596) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate
PubChem CID22754596
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Nameethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate
SMILESCCOC(=O)CN1C(C)(CC)CCC(C)C1(C)CC
InChIInChI=1S/C16H31NO2/c1-7-15(5)11-10-13(4)16(6,8-2)17(15)12-14(18)19-9-3/h13H,7-12H2,1-6H3
InChIKeyZKZABKCMGHQHJI-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate?
The IUPAC name of ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate (CID 22754596) is ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate is CCOC(=O)CN1C(C)(CC)CCC(C)C1(C)CC.
What is the InChIKey of ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate?
The InChIKey is ZKZABKCMGHQHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-7-15(5)11-10-13(4)16(6,8-2)17(15)12-14(18)19-9-3/h13H,7-12H2,1-6H3.
What are the key properties of ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate?
ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate has a molecular weight of 269.43 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-diethyl-2,3,6-trimethylpiperidin-1-yl)acetate is sourced from PubChem (CID 22754596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).