ethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate

C16H22FNO2 — CID 10802642

IUPACethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-2-20-16(19)14-8-11-18(12-9-14)10-7-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3
InChIKeyMETXFBFNWUPVNZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.64
Rot. Bonds5

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

ethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate (PubChem CID 10802642) has the molecular formula C16H22FNO2 and a molecular weight of 279.36 g/mol. Its IUPAC name is ethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate
PubChem CID10802642
Molecular FormulaC16H22FNO2
Molecular Weight279.36 g/mol
Exact Mass279.16
IUPAC Nameethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C16H22FNO2/c1-2-20-16(19)14-8-11-18(12-9-14)10-7-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3
InChIKeyMETXFBFNWUPVNZ-UHFFFAOYSA-N
XLogP2.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate (CID 10802642) is ethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCc2ccc(F)cc2)CC1.
What is the InChIKey of ethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate?
The InChIKey is METXFBFNWUPVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-20-16(19)14-8-11-18(12-9-14)10-7-13-3-5-15(17)6-4-13/h3-6,14H,2,7-12H2,1H3.
What are the key properties of ethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate?
ethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate has a molecular weight of 279.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-fluorophenyl)ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 10802642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).