ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate

C13H25NO3 — CID 114510592

IUPACethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1(O)CCNCC1CC
InChIInChI=1S/C13H25NO3/c1-5-10-9-14-8-7-13(10,16)12(3,4)11(15)17-6-2/h10,14,16H,5-9H2,1-4H3
InChIKeyKHKCYOLUXNSANI-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.33
Rot. Bonds4

About ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate

ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate (PubChem CID 114510592) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate
PubChem CID114510592
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nameethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)C1(O)CCNCC1CC
InChIInChI=1S/C13H25NO3/c1-5-10-9-14-8-7-13(10,16)12(3,4)11(15)17-6-2/h10,14,16H,5-9H2,1-4H3
InChIKeyKHKCYOLUXNSANI-UHFFFAOYSA-N
XLogP1.33
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate?
The IUPAC name of ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate (CID 114510592) is ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate.
What is the SMILES notation for ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate?
The canonical SMILES for ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate is CCOC(=O)C(C)(C)C1(O)CCNCC1CC.
What is the InChIKey of ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate?
The InChIKey is KHKCYOLUXNSANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-5-10-9-14-8-7-13(10,16)12(3,4)11(15)17-6-2/h10,14,16H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate?
ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate has a molecular weight of 243.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-ethyl-4-hydroxypiperidin-4-yl)-2-methylpropanoate is sourced from PubChem (CID 114510592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).