ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate

C16H23FN2O2 — CID 114509111

IUPACethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(Nc2cccc(F)c2)CCNCC1CC
InChIInChI=1S/C16H23FN2O2/c1-3-12-11-18-9-8-16(12,15(20)21-4-2)19-14-7-5-6-13(17)10-14/h5-7,10,12,18-19H,3-4,8-9,11H2,1-2H3
InChIKeyHJFSUXTYXMHKLZ-UHFFFAOYSA-N
MW294.37 g/mol
LogP2.56
Rot. Bonds5

About ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate

ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate (PubChem CID 114509111) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate
PubChem CID114509111
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nameethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate
SMILESCCOC(=O)C1(Nc2cccc(F)c2)CCNCC1CC
InChIInChI=1S/C16H23FN2O2/c1-3-12-11-18-9-8-16(12,15(20)21-4-2)19-14-7-5-6-13(17)10-14/h5-7,10,12,18-19H,3-4,8-9,11H2,1-2H3
InChIKeyHJFSUXTYXMHKLZ-UHFFFAOYSA-N
XLogP2.56
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-ethyl-4-(4-methylanilino)piperidine-4-carboxylate
CID 114509075
ethyl 1-(3-fluoroanilino)-2,4-dimethylcyclohexane-1-carboxylate
CID 64755369
ethyl 3-ethyl-4-(thiophen-2-ylmethylamino)piperidine-4-carboxylate
CID 114509125
ethyl 1-(3-fluoroanilino)-4-methylcycloheptane-1-carboxylate
CID 65084951
ethyl 1-(3-fluoroanilino)-3-methylcyclohexane-1-carboxylate
CID 60993314
3-ethyl-4-(3-fluorophenyl)piperidin-4-ol
CID 114510409
ethyl 4-(2-bromoanilino)-3-methylpiperidine-4-carboxylate
CID 114500563
3-methyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 114500554
methyl 1-(3-fluoroanilino)-2,3-dimethylcyclohexane-1-carboxylate
CID 64755367
ethyl 3-(4-fluoroanilino)-2-methyloxolane-3-carboxylate
CID 82719419
4-(3-fluoro-5-methylanilino)-3-methylpiperidine-4-carboxamide
CID 114499616
ethyl 3-(3-methylanilino)-1-azabicyclo[2.2.2]octane-3-carboxylate
CID 60994503

Frequently Asked Questions

What is the IUPAC name of ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate?
The IUPAC name of ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate (CID 114509111) is ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate?
The canonical SMILES for ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate is CCOC(=O)C1(Nc2cccc(F)c2)CCNCC1CC.
What is the InChIKey of ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate?
The InChIKey is HJFSUXTYXMHKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-3-12-11-18-9-8-16(12,15(20)21-4-2)19-14-7-5-6-13(17)10-14/h5-7,10,12,18-19H,3-4,8-9,11H2,1-2H3.
What are the key properties of ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate?
ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate has a molecular weight of 294.37 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-ethyl-4-(3-fluoroanilino)piperidine-4-carboxylate is sourced from PubChem (CID 114509111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).