(5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one

C12H15FN2O2 — CID 51595928

IUPAC(5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(F)c(C2NC(=O)CC[C@@H]2N)c1
InChIInChI=1S/C12H15FN2O2/c1-17-7-2-3-9(13)8(6-7)12-10(14)4-5-11(16)15-12/h2-3,6,10,12H,4-5,14H2,1H3,(H,15,16)/t10-,12?/m0/s1
InChIKeyGNRWIYIZHULJGO-NUHJPDEHSA-N
MW238.26 g/mol
LogP1.11
Rot. Bonds2

About (5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one

(5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one (PubChem CID 51595928) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one.

Molecular Properties

Compound Name(5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one
PubChem CID51595928
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one
SMILESCOc1ccc(F)c(C2NC(=O)CC[C@@H]2N)c1
InChIInChI=1S/C12H15FN2O2/c1-17-7-2-3-9(13)8(6-7)12-10(14)4-5-11(16)15-12/h2-3,6,10,12H,4-5,14H2,1H3,(H,15,16)/t10-,12?/m0/s1
InChIKeyGNRWIYIZHULJGO-NUHJPDEHSA-N
XLogP1.11
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one?
The IUPAC name of (5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one (CID 51595928) is (5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one.
What is the SMILES notation for (5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one?
The canonical SMILES for (5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one is COc1ccc(F)c(C2NC(=O)CC[C@@H]2N)c1.
What is the InChIKey of (5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one?
The InChIKey is GNRWIYIZHULJGO-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-17-7-2-3-9(13)8(6-7)12-10(14)4-5-11(16)15-12/h2-3,6,10,12H,4-5,14H2,1H3,(H,15,16)/t10-,12?/m0/s1.
What are the key properties of (5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one?
(5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one has a molecular weight of 238.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-5-amino-6-(2-fluoro-5-methoxyphenyl)piperidin-2-one is sourced from PubChem (CID 51595928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).