ethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate

C16H19ClFNO3 — CID 19908856

IUPACethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(F)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClFNO3/c1-2-22-16(21)13-5-3-4-10-19(13)15(20)14(18)11-6-8-12(17)9-7-11/h6-9,13-14H,2-5,10H2,1H3
InChIKeyFUZIBYYDPWYANE-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.29
Rot. Bonds4

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

ethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate (PubChem CID 19908856) has the molecular formula C16H19ClFNO3 and a molecular weight of 327.78 g/mol. Its IUPAC name is ethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate
PubChem CID19908856
Molecular FormulaC16H19ClFNO3
Molecular Weight327.78 g/mol
Exact Mass327.10
IUPAC Nameethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate
SMILESCCOC(=O)C1CCCCN1C(=O)C(F)c1ccc(Cl)cc1
InChIInChI=1S/C16H19ClFNO3/c1-2-22-16(21)13-5-3-4-10-19(13)15(20)14(18)11-6-8-12(17)9-7-11/h6-9,13-14H,2-5,10H2,1H3
InChIKeyFUZIBYYDPWYANE-UHFFFAOYSA-N
XLogP3.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chlorophenyl)-1-(4-morpholinyl)ethanone
CID 1124089
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 3645747
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 16289650
1-[2-(3,4-Dichloro-phenyl)-acetyl]-6-pyrrolidin-1-ylmethyl-piperidine-2-carboxylic acid methyl ester
CID 44364294
Ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 1094120
Ethyl 1-[2-(2-chloro-6-fluorophenyl)acetyl]piperidine-3-carboxylate
CID 2963116
methyl (2S)-2-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]-3-(4-fluorophenyl)propanoate
CID 166627827
2-(2-Chloro-6-fluorophenyl)-1-morpholin-4-ylethanone
CID 974102
Ethyl 2-[2-(4-chlorophenyl)acetamido]acetate
CID 1905085
[Cyclohexyl(methyl)carbamoyl]methyl 2-(4-chlorophenyl)acetate
CID 2356160
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4062713
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 4438305

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate (CID 19908856) is ethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate is CCOC(=O)C1CCCCN1C(=O)C(F)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate?
The InChIKey is FUZIBYYDPWYANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFNO3/c1-2-22-16(21)13-5-3-4-10-19(13)15(20)14(18)11-6-8-12(17)9-7-11/h6-9,13-14H,2-5,10H2,1H3.
What are the key properties of ethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate?
ethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate has a molecular weight of 327.78 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(4-chlorophenyl)-2-fluoroacetyl]piperidine-2-carboxylate is sourced from PubChem (CID 19908856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).