ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate

C17H24FNO2 — CID 143566802

IUPACethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(F)c(CC)c2C)CC1
InChIInChI=1S/C17H24FNO2/c1-4-14-12(3)16(7-6-15(14)18)19-10-8-13(9-11-19)17(20)21-5-2/h6-7,13H,4-5,8-11H2,1-3H3
InChIKeyOABSNRHVCPYSTL-UHFFFAOYSA-N
MW293.38 g/mol
LogP3.48
Rot. Bonds4

About ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate

ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate (PubChem CID 143566802) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate
PubChem CID143566802
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Nameethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(F)c(CC)c2C)CC1
InChIInChI=1S/C17H24FNO2/c1-4-14-12(3)16(7-6-15(14)18)19-10-8-13(9-11-19)17(20)21-5-2/h6-7,13H,4-5,8-11H2,1-3H3
InChIKeyOABSNRHVCPYSTL-UHFFFAOYSA-N
XLogP3.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 1-[1-(4-ethyl-2-fluorophenyl)piperidin-4-yl]piperidine-4-carboxylate
CID 70669914
ethyl 1-(2-cyano-5-fluorophenyl)piperidine-4-carboxylate
CID 171316298
ethyl 1-(5-chloro-2-cyanophenyl)piperidine-4-carboxylate
CID 63083153
ethyl 1-[(2,6-difluorophenyl)methyl]piperidine-4-carboxylate
CID 115879637
ethyl 1-(2-cyano-4-methylphenyl)piperidine-4-carboxylate
CID 107926994
ethyl 1-(4-amino-2-cyanophenyl)piperidine-4-carboxylate
CID 22227900
ethyl 1-(4-methyl-2-nitrophenyl)piperidine-4-carboxylate
CID 62004724
ethyl 1-(3-fluoro-2-isocyanatophenyl)piperidine-4-carboxylate
CID 169354870
ethyl 1-(2,3,4-trifluorophenyl)piperidine-3-carboxylate
CID 82537647
4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid
CID 53052912
ethyl 1-[1-(3,4-difluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxylate
CID 17035917
ethyl 1-[2-methoxy-5-(trifluoromethyl)phenyl]piperidine-4-carboxylate
CID 130187320

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate (CID 143566802) is ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(F)c(CC)c2C)CC1.
What is the InChIKey of ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate?
The InChIKey is OABSNRHVCPYSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-4-14-12(3)16(7-6-15(14)18)19-10-8-13(9-11-19)17(20)21-5-2/h6-7,13H,4-5,8-11H2,1-3H3.
What are the key properties of ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate?
ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate has a molecular weight of 293.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-ethyl-4-fluoro-2-methylphenyl)piperidine-4-carboxylate is sourced from PubChem (CID 143566802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).