methyl 2-(2-fluorophenyl)piperidine-4-carboxylate

C13H16FNO2 — CID 105498960

IUPACmethyl 2-(2-fluorophenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(c2ccccc2F)C1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)9-6-7-15-12(8-9)10-4-2-3-5-11(10)14/h2-5,9,12,15H,6-8H2,1H3
InChIKeyQICGMIOFURHHSP-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.04
Rot. Bonds2

About methyl 2-(2-fluorophenyl)piperidine-4-carboxylate

methyl 2-(2-fluorophenyl)piperidine-4-carboxylate (PubChem CID 105498960) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)piperidine-4-carboxylate
PubChem CID105498960
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl 2-(2-fluorophenyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCNC(c2ccccc2F)C1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)9-6-7-15-12(8-9)10-4-2-3-5-11(10)14/h2-5,9,12,15H,6-8H2,1H3
InChIKeyQICGMIOFURHHSP-UHFFFAOYSA-N
XLogP2.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S,4R)-2-phenylpiperidine-4-carboxylate
CID 51441743
methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate
CID 7200386
methyl (3R,5R)-5-(2-fluorophenyl)piperidine-3-carboxylate
CID 96581577
(2S,4R)-2-(2-fluorophenyl)piperidin-4-amine
CID 82657044
dimethyl 2-(2-chloro-4-fluorophenyl)piperidine-1,4-dicarboxylate;methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate;hydrochloride
CID 162092676
2-(2-chlorophenyl)piperidine-4-carboxylic acid
CID 82388189
methyl 2-methylpiperidine-4-carboxylate;hydrochloride
CID 121333420
methyl 1-(2-fluorophenyl)piperidine-4-carboxylate
CID 117028042
methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate
CID 82243393
2-(2-chloro-4-fluorophenyl)piperidine-1,4-dicarboxylic acid;methyl 2-(2-chloro-4-fluorophenyl)piperidine-4-carboxylate;hydrochloride
CID 66731695
(2R)-2-(2-fluorophenyl)pyrrolidine;methane
CID 161076171
(2S)-2-(2-fluorophenyl)pyrrolidine;hydrochloride
CID 66518510

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)piperidine-4-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)piperidine-4-carboxylate (CID 105498960) is methyl 2-(2-fluorophenyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)piperidine-4-carboxylate is COC(=O)C1CCNC(c2ccccc2F)C1.
What is the InChIKey of methyl 2-(2-fluorophenyl)piperidine-4-carboxylate?
The InChIKey is QICGMIOFURHHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-13(16)9-6-7-15-12(8-9)10-4-2-3-5-11(10)14/h2-5,9,12,15H,6-8H2,1H3.
What are the key properties of methyl 2-(2-fluorophenyl)piperidine-4-carboxylate?
methyl 2-(2-fluorophenyl)piperidine-4-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)piperidine-4-carboxylate is sourced from PubChem (CID 105498960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).