1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione

C14H17NO3 — CID 95027251

IUPAC1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N([C@@H](CO)c2ccccc2)C(=O)C1
InChIInChI=1S/C14H17NO3/c1-10-7-13(17)15(14(18)8-10)12(9-16)11-5-3-2-4-6-11/h2-6,10,12,16H,7-9H2,1H3/t12-/m0/s1
InChIKeyAYSJWTMSQJSUNL-LBPRGKRZSA-N
MW247.29 g/mol
LogP1.51
Rot. Bonds3

About 1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione

1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione (PubChem CID 95027251) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione
PubChem CID95027251
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione
SMILESCC1CC(=O)N([C@@H](CO)c2ccccc2)C(=O)C1
InChIInChI=1S/C14H17NO3/c1-10-7-13(17)15(14(18)8-10)12(9-16)11-5-3-2-4-6-11/h2-6,10,12,16H,7-9H2,1H3/t12-/m0/s1
InChIKeyAYSJWTMSQJSUNL-LBPRGKRZSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
CID 71354940
1-[(1R)-2-hydroxy-1-phenylethyl]piperidine-2,6-dione
CID 107863789
(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one
CID 175215749
3-[(1S)-2-hydroxy-1-phenylethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 107863631
8-[(1R)-2-hydroxy-1-phenylethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 107863747
1-(2-hydroxy-1-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 70627664
1-[(1R)-2-hydroxy-1-phenylethyl]-3-methylpyrrole-2,5-dione
CID 107863751
1-(1-hydroxy-3-methylbutan-2-yl)-4-methylpiperidine-2,6-dione
CID 79244368
2-(2-methylazetidin-1-yl)-2-phenylethanol
CID 104549553
1-[2-(ethylamino)-2-phenylethyl]-4-methylpiperidine-2,6-dione
CID 79507326
2-(3-ethylazetidin-1-yl)-2-phenylethanol
CID 104549564
ethyl 1-[(1S)-2-hydroxy-1-phenylethyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 101250288

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione (CID 95027251) is 1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione is CC1CC(=O)N([C@@H](CO)c2ccccc2)C(=O)C1.
What is the InChIKey of 1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione?
The InChIKey is AYSJWTMSQJSUNL-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-7-13(17)15(14(18)8-10)12(9-16)11-5-3-2-4-6-11/h2-6,10,12,16H,7-9H2,1H3/t12-/m0/s1.
What are the key properties of 1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione?
1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione has a molecular weight of 247.29 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 95027251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).