ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride

C9H17ClFNO2 — CID 134163152

IUPACethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride
SMILESCCOC(=O)C(F)C1CCNCC1.Cl
InChIInChI=1S/C9H16FNO2.ClH/c1-2-13-9(12)8(10)7-3-5-11-6-4-7;/h7-8,11H,2-6H2,1H3;1H
InChIKeyNMZIRUXUZQOLDI-UHFFFAOYSA-N
MW225.69 g/mol
LogP1.31
Rot. Bonds3

About ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride

ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride (PubChem CID 134163152) has the molecular formula C9H17ClFNO2 and a molecular weight of 225.69 g/mol. Its IUPAC name is ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride
PubChem CID134163152
Molecular FormulaC9H17ClFNO2
Molecular Weight225.69 g/mol
Exact Mass225.09
IUPAC Nameethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride
SMILESCCOC(=O)C(F)C1CCNCC1.Cl
InChIInChI=1S/C9H16FNO2.ClH/c1-2-13-9(12)8(10)7-3-5-11-6-4-7;/h7-8,11H,2-6H2,1H3;1H
InChIKeyNMZIRUXUZQOLDI-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.69
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

ethyl (2S)-2-fluoro-2-[(3S)-pyrrolidin-3-yl]acetate
CID 125086128
ethyl 2-cyclopropyl-2-fluoroacetate
CID 171409758
ethyl 3-cyclopropyl-2-fluoro-3-hydroxypropanoate
CID 79367296
ethyl 2-piperidin-4-yloxypentanoate
CID 106939245
ethyl 3-(4-fluorophenyl)-3-piperidin-4-ylpropanoate
CID 18071355
ethyl acetate;piperidin-4-ol;hydrochloride
CID 174311482
diethyl 2-(2-piperidin-4-ylethyl)propanedioate
CID 57155204
ethyl 1-piperidin-4-ylcyclopropane-1-carboxylate;hydrochloride
CID 131964099
ethyl 2-fluoro-2-[(1R,2R)-2-iodocyclopentyl]acetate
CID 101113631
ethyl 3-piperidin-4-ylpropanoate;hydrochloride
CID 23062703
4-[(1S)-1-fluoropropyl]piperidine
CID 124547570
4-(1-fluoro-2-methylbutyl)piperidine
CID 112563763

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride?
The IUPAC name of ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride (CID 134163152) is ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride.
What is the SMILES notation for ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride?
The canonical SMILES for ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride is CCOC(=O)C(F)C1CCNCC1.Cl.
What is the InChIKey of ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride?
The InChIKey is NMZIRUXUZQOLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2.ClH/c1-2-13-9(12)8(10)7-3-5-11-6-4-7;/h7-8,11H,2-6H2,1H3;1H.
What are the key properties of ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride?
ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride has a molecular weight of 225.69 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-piperidin-4-ylacetate;hydrochloride is sourced from PubChem (CID 134163152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).