ethyl 2-(3-piperidin-4-ylphenoxy)acetate

C15H21NO3 — CID 59862445

IUPACethyl 2-(3-piperidin-4-ylphenoxy)acetate
SMILESCCOC(=O)COc1cccc(C2CCNCC2)c1
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)11-19-14-5-3-4-13(10-14)12-6-8-16-9-7-12/h3-5,10,12,16H,2,6-9,11H2,1H3
InChIKeyLETHCYQMSAQQQQ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.10
Rot. Bonds5

About ethyl 2-(3-piperidin-4-ylphenoxy)acetate

ethyl 2-(3-piperidin-4-ylphenoxy)acetate (PubChem CID 59862445) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-(3-piperidin-4-ylphenoxy)acetate.

Molecular Properties

Compound Nameethyl 2-(3-piperidin-4-ylphenoxy)acetate
PubChem CID59862445
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-(3-piperidin-4-ylphenoxy)acetate
SMILESCCOC(=O)COc1cccc(C2CCNCC2)c1
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)11-19-14-5-3-4-13(10-14)12-6-8-16-9-7-12/h3-5,10,12,16H,2,6-9,11H2,1H3
InChIKeyLETHCYQMSAQQQQ-UHFFFAOYSA-N
XLogP2.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-piperidin-4-ylphenoxy)acetate?
The IUPAC name of ethyl 2-(3-piperidin-4-ylphenoxy)acetate (CID 59862445) is ethyl 2-(3-piperidin-4-ylphenoxy)acetate.
What is the SMILES notation for ethyl 2-(3-piperidin-4-ylphenoxy)acetate?
The canonical SMILES for ethyl 2-(3-piperidin-4-ylphenoxy)acetate is CCOC(=O)COc1cccc(C2CCNCC2)c1.
What is the InChIKey of ethyl 2-(3-piperidin-4-ylphenoxy)acetate?
The InChIKey is LETHCYQMSAQQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-18-15(17)11-19-14-5-3-4-13(10-14)12-6-8-16-9-7-12/h3-5,10,12,16H,2,6-9,11H2,1H3.
What are the key properties of ethyl 2-(3-piperidin-4-ylphenoxy)acetate?
ethyl 2-(3-piperidin-4-ylphenoxy)acetate has a molecular weight of 263.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-piperidin-4-ylphenoxy)acetate is sourced from PubChem (CID 59862445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).