ethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate

C12H20FNO4 — CID 71566984

IUPACethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate
SMILESCCOC(=O)CN1CCC(F)(C(=O)OCC)CC1
InChIInChI=1S/C12H20FNO4/c1-3-17-10(15)9-14-7-5-12(13,6-8-14)11(16)18-4-2/h3-9H2,1-2H3
InChIKeyOVKPLPCRRZLTSS-UHFFFAOYSA-N
MW261.29 g/mol
LogP0.92
Rot. Bonds5

About ethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate

ethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate (PubChem CID 71566984) has the molecular formula C12H20FNO4 and a molecular weight of 261.29 g/mol. Its IUPAC name is ethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate
PubChem CID71566984
Molecular FormulaC12H20FNO4
Molecular Weight261.29 g/mol
Exact Mass261.14
IUPAC Nameethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate
SMILESCCOC(=O)CN1CCC(F)(C(=O)OCC)CC1
InChIInChI=1S/C12H20FNO4/c1-3-17-10(15)9-14-7-5-12(13,6-8-14)11(16)18-4-2/h3-9H2,1-2H3
InChIKeyOVKPLPCRRZLTSS-UHFFFAOYSA-N
XLogP0.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
CID 74605
2-(4-(Ethoxycarbonyl)piperidin-1-yl)acetic acid
CID 52903749
Methyl 4-carbethoxy-1-piperidineacetate
CID 260383
[1-(2-Fluoroethyl)piperidin-4-yl]methyl butanoate
CID 10105300
Piperidinium, 4-carboxy-1,1-dimethyl-, chloride, 2-(diethylamino)ethyl ester, hydrochloride
CID 24842825
Methyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CID 296033
2-Diethylaminoethyl 1-methylpiperidine-4-carboxylate
CID 515605
[4-(Ethoxycarbonyl)piperidin-1-yl]acetic acid hydrochloride
CID 71778948
Ethyl 4-fluoro-1-propan-2-ylpiperidine-4-carboxylate
CID 58547083
Ethyl 4-fluoro-1-(oxetan-3-yl)piperidine-4-carboxylate
CID 67126714
Ethyl 4-fluoro-1-methylpiperidine-4-carboxylate
CID 70641647
Ethyl 1-(2-fluoroethyl)piperidine-4-carboxylate
CID 79317038

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate (CID 71566984) is ethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate is CCOC(=O)CN1CCC(F)(C(=O)OCC)CC1.
What is the InChIKey of ethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate?
The InChIKey is OVKPLPCRRZLTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO4/c1-3-17-10(15)9-14-7-5-12(13,6-8-14)11(16)18-4-2/h3-9H2,1-2H3.
What are the key properties of ethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate?
ethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate has a molecular weight of 261.29 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate is sourced from PubChem (CID 71566984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).