ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate

C11H20FNO2 — CID 155238126

IUPACethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate
SMILESCCOC(=O)CCC1(F)CCCN(C)C1
InChIInChI=1S/C11H20FNO2/c1-3-15-10(14)5-7-11(12)6-4-8-13(2)9-11/h3-9H2,1-2H3
InChIKeyDADOIAHGGGXRQG-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.76
Rot. Bonds4

About ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate

ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate (PubChem CID 155238126) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate
PubChem CID155238126
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Nameethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate
SMILESCCOC(=O)CCC1(F)CCCN(C)C1
InChIInChI=1S/C11H20FNO2/c1-3-15-10(14)5-7-11(12)6-4-8-13(2)9-11/h3-9H2,1-2H3
InChIKeyDADOIAHGGGXRQG-UHFFFAOYSA-N
XLogP1.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate 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 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate?
The IUPAC name of ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate (CID 155238126) is ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate.
What is the SMILES notation for ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate?
The canonical SMILES for ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate is CCOC(=O)CCC1(F)CCCN(C)C1.
What is the InChIKey of ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate?
The InChIKey is DADOIAHGGGXRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-3-15-10(14)5-7-11(12)6-4-8-13(2)9-11/h3-9H2,1-2H3.
What are the key properties of ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate?
ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate has a molecular weight of 217.28 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-fluoro-1-methylpiperidin-3-yl)propanoate is sourced from PubChem (CID 155238126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).