ethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate

C12H23NO3 — CID 12688425

IUPACethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate
SMILESCCOC(=O)CC1(O)CC(C)N(C)CC1C
InChIInChI=1S/C12H23NO3/c1-5-16-11(14)7-12(15)6-10(3)13(4)8-9(12)2/h9-10,15H,5-8H2,1-4H3
InChIKeyXHBNWBPWXKAXAK-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.03
Rot. Bonds3

About ethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate

ethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate (PubChem CID 12688425) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate
PubChem CID12688425
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate
SMILESCCOC(=O)CC1(O)CC(C)N(C)CC1C
InChIInChI=1S/C12H23NO3/c1-5-16-11(14)7-12(15)6-10(3)13(4)8-9(12)2/h9-10,15H,5-8H2,1-4H3
InChIKeyXHBNWBPWXKAXAK-UHFFFAOYSA-N
XLogP1.03
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate?
The IUPAC name of ethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate (CID 12688425) is ethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate.
What is the SMILES notation for ethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate?
The canonical SMILES for ethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate is CCOC(=O)CC1(O)CC(C)N(C)CC1C.
What is the InChIKey of ethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate?
The InChIKey is XHBNWBPWXKAXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-16-11(14)7-12(15)6-10(3)13(4)8-9(12)2/h9-10,15H,5-8H2,1-4H3.
What are the key properties of ethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate?
ethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate has a molecular weight of 229.32 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-hydroxy-1,2,5-trimethylpiperidin-4-yl)acetate is sourced from PubChem (CID 12688425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).