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

C11H18FNO4 — CID 165145330

IUPACmethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate
SMILESCCOC(=O)CN1CCC(F)(C(=O)OC)CC1
InChIInChI=1S/C11H18FNO4/c1-3-17-9(14)8-13-6-4-11(12,5-7-13)10(15)16-2/h3-8H2,1-2H3
InChIKeyWDUBPSOMHNNQRH-UHFFFAOYSA-N
MW247.27 g/mol
LogP0.53
Rot. Bonds4

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

methyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate (PubChem CID 165145330) has the molecular formula C11H18FNO4 and a molecular weight of 247.27 g/mol. Its IUPAC name is methyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate
PubChem CID165145330
Molecular FormulaC11H18FNO4
Molecular Weight247.27 g/mol
Exact Mass247.12
IUPAC Namemethyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate
SMILESCCOC(=O)CN1CCC(F)(C(=O)OC)CC1
InChIInChI=1S/C11H18FNO4/c1-3-17-9(14)8-13-6-4-11(12,5-7-13)10(15)16-2/h3-8H2,1-2H3
InChIKeyWDUBPSOMHNNQRH-UHFFFAOYSA-N
XLogP0.53
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 50.53
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-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate
CID 71566984

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate (CID 165145330) is methyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate is CCOC(=O)CN1CCC(F)(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate?
The InChIKey is WDUBPSOMHNNQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO4/c1-3-17-9(14)8-13-6-4-11(12,5-7-13)10(15)16-2/h3-8H2,1-2H3.
What are the key properties of methyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate?
methyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate has a molecular weight of 247.27 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-ethoxy-2-oxoethyl)-4-fluoropiperidine-4-carboxylate is sourced from PubChem (CID 165145330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).