ethyl 2-fluoro-2-piperidin-1-ylacetate

C9H16FNO2 — CID 174307802

IUPACethyl 2-fluoro-2-piperidin-1-ylacetate
SMILESCCOC(=O)C(F)N1CCCCC1
InChIInChI=1S/C9H16FNO2/c1-2-13-9(12)8(10)11-6-4-3-5-7-11/h8H,2-7H2,1H3
InChIKeyVGQCVQNGQUEKQH-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.33
Rot. Bonds3

About ethyl 2-fluoro-2-piperidin-1-ylacetate

ethyl 2-fluoro-2-piperidin-1-ylacetate (PubChem CID 174307802) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is ethyl 2-fluoro-2-piperidin-1-ylacetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-piperidin-1-ylacetate
PubChem CID174307802
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Nameethyl 2-fluoro-2-piperidin-1-ylacetate
SMILESCCOC(=O)C(F)N1CCCCC1
InChIInChI=1S/C9H16FNO2/c1-2-13-9(12)8(10)11-6-4-3-5-7-11/h8H,2-7H2,1H3
InChIKeyVGQCVQNGQUEKQH-UHFFFAOYSA-N
XLogP1.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-piperidin-1-ylpropanoate;methanamine
CID 143433031
diethyl (2S)-2-pyrrolidin-1-ylbutanedioate
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ethyl 2-cyclohexyl-2-piperidin-1-ylacetate
CID 117066804
ethyl 3-(azepan-1-yl)hexanoate
CID 64528200
ethyl (2S)-2-piperidin-1-yl-2-thiophen-2-ylacetate
CID 97355402
ethyl azacycloundecane-1-carboxylate
CID 67670496
ethyl 4-piperidin-1-ylpentanoate
CID 67188448
[2-ethoxy-2-oxo-1-(piperidine-1-carbonyloxy)ethyl] piperidine-1-carboxylate
CID 121305988
ethyl (2S)-2-(2-bromophenyl)-2-piperidin-1-ylacetate
CID 97355525
ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate
CID 154339039
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
ethyl 2-fluoro-4-(4-phenylpiperazin-1-yl)-3-piperidin-1-ylbutanoate
CID 175903513

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-piperidin-1-ylacetate?
The IUPAC name of ethyl 2-fluoro-2-piperidin-1-ylacetate (CID 174307802) is ethyl 2-fluoro-2-piperidin-1-ylacetate.
What is the SMILES notation for ethyl 2-fluoro-2-piperidin-1-ylacetate?
The canonical SMILES for ethyl 2-fluoro-2-piperidin-1-ylacetate is CCOC(=O)C(F)N1CCCCC1.
What is the InChIKey of ethyl 2-fluoro-2-piperidin-1-ylacetate?
The InChIKey is VGQCVQNGQUEKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-2-13-9(12)8(10)11-6-4-3-5-7-11/h8H,2-7H2,1H3.
What are the key properties of ethyl 2-fluoro-2-piperidin-1-ylacetate?
ethyl 2-fluoro-2-piperidin-1-ylacetate has a molecular weight of 189.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-piperidin-1-ylacetate is sourced from PubChem (CID 174307802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).