methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate

C13H16FNO2 — CID 154715478

IUPACmethyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](F)C[C@@H]1c1ccccc1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)15-8-7-11(14)9-12(15)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12+/m0/s1
InChIKeyMDOVFSYRSXQAAO-NWDGAFQWSA-N
MW237.27 g/mol
LogP2.93
Rot. Bonds1

About methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate

methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate (PubChem CID 154715478) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate
PubChem CID154715478
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@H](F)C[C@@H]1c1ccccc1
InChIInChI=1S/C13H16FNO2/c1-17-13(16)15-8-7-11(14)9-12(15)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12+/m0/s1
InChIKeyMDOVFSYRSXQAAO-NWDGAFQWSA-N
XLogP2.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate?
The IUPAC name of methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate (CID 154715478) is methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate.
What is the SMILES notation for methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate?
The canonical SMILES for methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate is COC(=O)N1CC[C@H](F)C[C@@H]1c1ccccc1.
What is the InChIKey of methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate?
The InChIKey is MDOVFSYRSXQAAO-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-17-13(16)15-8-7-11(14)9-12(15)10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3/t11-,12+/m0/s1.
What are the key properties of methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate?
methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-4-fluoro-2-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 154715478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).