(5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one

C13H17NO2 — CID 131115734

IUPAC(5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one
SMILESC[C@@H]1NC(=O)CC[C@H]1OCc1ccccc1
InChIInChI=1S/C13H17NO2/c1-10-12(7-8-13(15)14-10)16-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,14,15)/t10-,12+/m0/s1
InChIKeyJYRFOFTVAALZOB-CMPLNLGQSA-N
MW219.28 g/mol
LogP1.87
Rot. Bonds3

About (5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one

(5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one (PubChem CID 131115734) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one.

Molecular Properties

Compound Name(5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one
PubChem CID131115734
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one
SMILESC[C@@H]1NC(=O)CC[C@H]1OCc1ccccc1
InChIInChI=1S/C13H17NO2/c1-10-12(7-8-13(15)14-10)16-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,14,15)/t10-,12+/m0/s1
InChIKeyJYRFOFTVAALZOB-CMPLNLGQSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one?
The IUPAC name of (5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one (CID 131115734) is (5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one.
What is the SMILES notation for (5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one?
The canonical SMILES for (5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one is C[C@@H]1NC(=O)CC[C@H]1OCc1ccccc1.
What is the InChIKey of (5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one?
The InChIKey is JYRFOFTVAALZOB-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H17NO2/c1-10-12(7-8-13(15)14-10)16-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,14,15)/t10-,12+/m0/s1.
What are the key properties of (5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one?
(5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-6-methyl-5-phenylmethoxypiperidin-2-one is sourced from PubChem (CID 131115734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).