methyl 6-(3-fluorophenyl)piperidine-2-carboxylate

C13H16FNO2 — CID 117168179

IUPACmethyl 6-(3-fluorophenyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCC(c2cccc(F)c2)N1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)12-7-3-6-11(15-12)9-4-2-5-10(14)8-9/h2,4-5,8,11-12,15H,3,6-7H2,1H3
InChIKeyZNFPOEGFHWUSBW-UHFFFAOYSA-N
MW237.27 g/mol
LogP2.18
Rot. Bonds2

About methyl 6-(3-fluorophenyl)piperidine-2-carboxylate

methyl 6-(3-fluorophenyl)piperidine-2-carboxylate (PubChem CID 117168179) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl 6-(3-fluorophenyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3-fluorophenyl)piperidine-2-carboxylate
PubChem CID117168179
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl 6-(3-fluorophenyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCC(c2cccc(F)c2)N1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)12-7-3-6-11(15-12)9-4-2-5-10(14)8-9/h2,4-5,8,11-12,15H,3,6-7H2,1H3
InChIKeyZNFPOEGFHWUSBW-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate
CID 24770518
methyl 4-(3-fluorophenyl)azetidine-2-carboxylate
CID 105462660
ethyl (2R,5S)-5-(3-fluorophenyl)pyrrolidine-2-carboxylate
CID 131887910
methyl (2R,5S)-5-(3-fluorophenyl)piperidine-2-carboxylate
CID 96530452
methyl (2S,5R)-5-(3-chlorophenyl)pyrrolidine-2-carboxylate
CID 67256593
methyl (2R,5S)-5-(3-bromophenyl)pyrrolidine-2-carboxylate
CID 166640242
methyl 6-[4-(trifluoromethyl)phenyl]piperidine-2-carboxylate
CID 117168204
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959
methyl 2-(3-fluorophenyl)azetidine-3-carboxylate
CID 105462663
methyl (2S,5R)-5-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxylate
CID 59468954
tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate
CID 10659095
methyl (2S,3R)-3-(3-fluorophenyl)oxirane-2-carboxylate
CID 95212361

Frequently Asked Questions

What is the IUPAC name of methyl 6-(3-fluorophenyl)piperidine-2-carboxylate?
The IUPAC name of methyl 6-(3-fluorophenyl)piperidine-2-carboxylate (CID 117168179) is methyl 6-(3-fluorophenyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 6-(3-fluorophenyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 6-(3-fluorophenyl)piperidine-2-carboxylate is COC(=O)C1CCCC(c2cccc(F)c2)N1.
What is the InChIKey of methyl 6-(3-fluorophenyl)piperidine-2-carboxylate?
The InChIKey is ZNFPOEGFHWUSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-13(16)12-7-3-6-11(15-12)9-4-2-5-10(14)8-9/h2,4-5,8,11-12,15H,3,6-7H2,1H3.
What are the key properties of methyl 6-(3-fluorophenyl)piperidine-2-carboxylate?
methyl 6-(3-fluorophenyl)piperidine-2-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3-fluorophenyl)piperidine-2-carboxylate is sourced from PubChem (CID 117168179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).