methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate

C15H20FNO3 — CID 47014932

IUPACmethyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CCOc1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-19-15(18)14-4-2-3-9-17(14)10-11-20-13-7-5-12(16)6-8-13/h5-8,14H,2-4,9-11H2,1H3
InChIKeyOKWQOACAWUTUIZ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.23
Rot. Bonds5

About methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate

methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate (PubChem CID 47014932) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate
PubChem CID47014932
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Namemethyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1CCOc1ccc(F)cc1
InChIInChI=1S/C15H20FNO3/c1-19-15(18)14-4-2-3-9-17(14)10-11-20-13-7-5-12(16)6-8-13/h5-8,14H,2-4,9-11H2,1H3
InChIKeyOKWQOACAWUTUIZ-UHFFFAOYSA-N
XLogP2.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate (CID 47014932) is methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1CCOc1ccc(F)cc1.
What is the InChIKey of methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate?
The InChIKey is OKWQOACAWUTUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-19-15(18)14-4-2-3-9-17(14)10-11-20-13-7-5-12(16)6-8-13/h5-8,14H,2-4,9-11H2,1H3.
What are the key properties of methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate?
methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 2.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(4-fluorophenoxy)ethyl]piperidine-2-carboxylate is sourced from PubChem (CID 47014932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).