ethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate

C11H21NO3 — CID 54066112

IUPACethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate
SMILESCCOC(=O)CC1(C)CN(C)CCC1O
InChIInChI=1S/C11H21NO3/c1-4-15-10(14)7-11(2)8-12(3)6-5-9(11)13/h9,13H,4-8H2,1-3H3
InChIKeyMDCNZWPGOOVPSQ-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds3

About ethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate

ethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate (PubChem CID 54066112) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate
PubChem CID54066112
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate
SMILESCCOC(=O)CC1(C)CN(C)CCC1O
InChIInChI=1S/C11H21NO3/c1-4-15-10(14)7-11(2)8-12(3)6-5-9(11)13/h9,13H,4-8H2,1-3H3
InChIKeyMDCNZWPGOOVPSQ-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
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-1,3-dimethylpiperidin-3-yl)acetate?
The IUPAC name of ethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate (CID 54066112) is ethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate?
The canonical SMILES for ethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate is CCOC(=O)CC1(C)CN(C)CCC1O.
What is the InChIKey of ethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate?
The InChIKey is MDCNZWPGOOVPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-15-10(14)7-11(2)8-12(3)6-5-9(11)13/h9,13H,4-8H2,1-3H3.
What are the key properties of ethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate?
ethyl 2-(4-hydroxy-1,3-dimethylpiperidin-3-yl)acetate has a molecular weight of 215.29 g/mol, XLogP of 0.64, 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-1,3-dimethylpiperidin-3-yl)acetate is sourced from PubChem (CID 54066112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).