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

C13H17NO2 — CID 44550895

IUPAC(5S,6R)-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+/m1/s1
InChIKeyJYRFOFTVAALZOB-PWSUYJOCSA-N
MW219.28 g/mol
LogP1.87
Rot. Bonds3

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

(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one (PubChem CID 44550895) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one.

Molecular Properties

Compound Name(5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one
PubChem CID44550895
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(5S,6R)-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+/m1/s1
InChIKeyJYRFOFTVAALZOB-PWSUYJOCSA-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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Related Compounds

(5S,6R)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-phenylmethoxypiperidin-2-one
CID 101261245
(2S,3R)-2-methyl-3-phenylmethoxyazetidine
CID 163409920
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
(4-methylidene-2-phenylmethoxycyclohexyl)oxymethylbenzene
CID 91579429
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
[(1R,2S)-2-methylcyclohexyl]oxymethylbenzene
CID 168960565
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
(5R,6S)-6-[(1S,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1,2-dihydroxypropyl]-5-phenylmethoxypiperidin-2-one
CID 10024507
2-methyl-3,4,5-tris(phenylmethoxy)piperidine
CID 91043089
(4R,5R,6S)-4,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)piperidin-2-one
CID 102444690
[(1R,2R)-2-methoxycyclopropyl]oxymethylbenzene
CID 163224715
(5R)-4-benzyl-5-methylpyrrolidin-2-one
CID 154981425

Frequently Asked Questions

What is the IUPAC name of (5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one?
The IUPAC name of (5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one (CID 44550895) is (5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one.
What is the SMILES notation for (5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one?
The canonical SMILES for (5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one is C[C@H]1NC(=O)CC[C@@H]1OCc1ccccc1.
What is the InChIKey of (5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one?
The InChIKey is JYRFOFTVAALZOB-PWSUYJOCSA-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+/m1/s1.
What are the key properties of (5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one?
(5S,6R)-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 (5S,6R)-6-methyl-5-phenylmethoxypiperidin-2-one is sourced from PubChem (CID 44550895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).