methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate

C14H18FNO2 — CID 54404104

IUPACmethyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate
SMILESCOC(=O)C1CC(c2ccc(F)cc2)CCN1C
InChIInChI=1S/C14H18FNO2/c1-16-8-7-11(9-13(16)14(17)18-2)10-3-5-12(15)6-4-10/h3-6,11,13H,7-9H2,1-2H3
InChIKeyVPLIVFFXIJVTSV-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.18
Rot. Bonds2

About methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate

methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate (PubChem CID 54404104) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate
PubChem CID54404104
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Namemethyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate
SMILESCOC(=O)C1CC(c2ccc(F)cc2)CCN1C
InChIInChI=1S/C14H18FNO2/c1-16-8-7-11(9-13(16)14(17)18-2)10-3-5-12(15)6-4-10/h3-6,11,13H,7-9H2,1-2H3
InChIKeyVPLIVFFXIJVTSV-UHFFFAOYSA-N
XLogP2.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-fluorophenyl)piperidine-1-carboxylate
CID 70180289
(2S,4R)-1-methyl-4-phenylpiperidine-2-carboxylic acid;hydrochloride
CID 178190208
methyl (2S)-1-(4-fluorophenyl)-5-oxopyrrolidine-2-carboxylate
CID 42261076
methyl 3-(4-fluorophenyl)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 18446780
methyl (1R,2S,3R)-3-(4-fluorophenyl)-8-oxabicyclo[3.2.1]octane-2-carboxylate
CID 69021407
dimethyl 2-(4-fluorophenyl)piperidine-1,4-dicarboxylate;2-(4-fluorophenyl)-1-methoxycarbonylpiperidine-4-carboxylic acid
CID 66734931
methyl (1S,2S,3S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 67781854
methyl (1R,2R,3R,5R)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 98094965
methyl 1-[1-(4-fluorophenyl)cyclopropanecarbonyl]pyrrolidine-2-carboxylate
CID 43423447
methyl (2S,4S,5R)-5-(4-bromophenyl)-4-[(4-fluorophenyl)methylcarbamoyl]-1-methylpyrrolidine-2-carboxylate
CID 46211710
methyl (2S)-1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxylate;hydrofluoride
CID 144826687
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate?
The IUPAC name of methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate (CID 54404104) is methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate?
The canonical SMILES for methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate is COC(=O)C1CC(c2ccc(F)cc2)CCN1C.
What is the InChIKey of methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate?
The InChIKey is VPLIVFFXIJVTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16-8-7-11(9-13(16)14(17)18-2)10-3-5-12(15)6-4-10/h3-6,11,13H,7-9H2,1-2H3.
What are the key properties of methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate?
methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate has a molecular weight of 251.30 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-fluorophenyl)-1-methylpiperidine-2-carboxylate is sourced from PubChem (CID 54404104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).