methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate

C13H16FNO2 — CID 24770518

IUPACmethyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCC[C@@H](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/t11-,12+/m0/s1
InChIKeyZNFPOEGFHWUSBW-NWDGAFQWSA-N
MW237.27 g/mol
LogP2.18
Rot. Bonds2

About methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate

methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate (PubChem CID 24770518) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate
PubChem CID24770518
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCC[C@@H](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/t11-,12+/m0/s1
InChIKeyZNFPOEGFHWUSBW-NWDGAFQWSA-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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Frequently Asked Questions

What is the IUPAC name of methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate (CID 24770518) is methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCC[C@@H](c2cccc(F)c2)N1.
What is the InChIKey of methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate?
The InChIKey is ZNFPOEGFHWUSBW-NWDGAFQWSA-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/t11-,12+/m0/s1.
What are the key properties of methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate?
methyl (2R,6S)-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 (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate is sourced from PubChem (CID 24770518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).