[3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate

C18H27NO4 — CID 174815267

IUPAC[3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCCOc1ccccc1OC1CCCN(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C18H27NO4/c1-5-21-15-10-6-7-11-16(15)22-14-9-8-12-19(13-14)23-17(20)18(2,3)4/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3
InChIKeyAZJHYJAGRBYSLK-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.43
Rot. Bonds5

About [3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate

[3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174815267) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is [3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174815267
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name[3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate
SMILESCCOc1ccccc1OC1CCCN(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C18H27NO4/c1-5-21-15-10-6-7-11-16(15)22-14-9-8-12-19(13-14)23-17(20)18(2,3)4/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3
InChIKeyAZJHYJAGRBYSLK-UHFFFAOYSA-N
XLogP3.43
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate (CID 174815267) is [3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate is CCOc1ccccc1OC1CCCN(OC(=O)C(C)(C)C)C1.
What is the InChIKey of [3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is AZJHYJAGRBYSLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-5-21-15-10-6-7-11-16(15)22-14-9-8-12-19(13-14)23-17(20)18(2,3)4/h6-7,10-11,14H,5,8-9,12-13H2,1-4H3.
What are the key properties of [3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate?
[3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 321.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-ethoxyphenoxy)piperidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174815267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).