ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate

C11H20FNO3 — CID 168857212

IUPACethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(CCOC)CC1
InChIInChI=1S/C11H20FNO3/c1-3-16-10(14)11(12)4-6-13(7-5-11)8-9-15-2/h3-9H2,1-2H3
InChIKeyJBAUUPFMECEVRO-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.00
Rot. Bonds5

About ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate

ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate (PubChem CID 168857212) has the molecular formula C11H20FNO3 and a molecular weight of 233.28 g/mol. Its IUPAC name is ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate
PubChem CID168857212
Molecular FormulaC11H20FNO3
Molecular Weight233.28 g/mol
Exact Mass233.14
IUPAC Nameethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(F)CCN(CCOC)CC1
InChIInChI=1S/C11H20FNO3/c1-3-16-10(14)11(12)4-6-13(7-5-11)8-9-15-2/h3-9H2,1-2H3
InChIKeyJBAUUPFMECEVRO-UHFFFAOYSA-N
XLogP1.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-(ethoxycarbonyl)piperidine-1-acetate
CID 74605
Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl 4-carbethoxy-1-piperidineacetate
CID 260383
N-[18F]Fluoroethylpiperidin-4ylmethyl acetate
CID 46172914
[1-(2-Fluoroethyl)piperidin-4-yl]methyl butanoate
CID 10105300
[1-(2-Fluoroethyl)piperidin-4-yl]methyl acetate
CID 11820197
Piperidinium, 4-carboxy-1,1-dimethyl-, chloride, 2-(diethylamino)ethyl ester, hydrochloride
CID 24842825
Methyl 1-(2-hydroxyethyl)piperidine-4-carboxylate
CID 43509539
1-(2-Methoxyethyl)piperidine-4-carboxylic acid hydrochloride
CID 45075032
N-Methylisonipecotic acid, ethyl ester, hydrochloride
CID 52991957
Methyl 4-morpholin-4-ylbutanoate;hydrochloride
CID 45261344
Methyl 1-(2-ethoxy-2-oxoethyl)piperidine-4-carboxylate
CID 296033

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate (CID 168857212) is ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate is CCOC(=O)C1(F)CCN(CCOC)CC1.
What is the InChIKey of ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate?
The InChIKey is JBAUUPFMECEVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO3/c1-3-16-10(14)11(12)4-6-13(7-5-11)8-9-15-2/h3-9H2,1-2H3.
What are the key properties of ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate?
ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate has a molecular weight of 233.28 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-1-(2-methoxyethyl)piperidine-4-carboxylate is sourced from PubChem (CID 168857212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).