(3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one

C16H23NO2 — CID 11572478

IUPAC(3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one
SMILESCC[C@H]1C[C@H](C)CN([C@@H](CO)c2ccccc2)C1=O
InChIInChI=1S/C16H23NO2/c1-3-13-9-12(2)10-17(16(13)19)15(11-18)14-7-5-4-6-8-14/h4-8,12-13,15,18H,3,9-11H2,1-2H3/t12-,13-,15-/m0/s1
InChIKeyAKTODMQDHSVJAB-YDHLFZDLSA-N
MW261.36 g/mol
LogP2.61
Rot. Bonds4

About (3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one

(3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one (PubChem CID 11572478) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one.

Molecular Properties

Compound Name(3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one
PubChem CID11572478
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one
SMILESCC[C@H]1C[C@H](C)CN([C@@H](CO)c2ccccc2)C1=O
InChIInChI=1S/C16H23NO2/c1-3-13-9-12(2)10-17(16(13)19)15(11-18)14-7-5-4-6-8-14/h4-8,12-13,15,18H,3,9-11H2,1-2H3/t12-,13-,15-/m0/s1
InChIKeyAKTODMQDHSVJAB-YDHLFZDLSA-N
XLogP2.61
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one?
The IUPAC name of (3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one (CID 11572478) is (3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one.
What is the SMILES notation for (3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one?
The canonical SMILES for (3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one is CC[C@H]1C[C@H](C)CN([C@@H](CO)c2ccccc2)C1=O.
What is the InChIKey of (3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one?
The InChIKey is AKTODMQDHSVJAB-YDHLFZDLSA-N. The full InChI is InChI=1S/C16H23NO2/c1-3-13-9-12(2)10-17(16(13)19)15(11-18)14-7-5-4-6-8-14/h4-8,12-13,15,18H,3,9-11H2,1-2H3/t12-,13-,15-/m0/s1.
What are the key properties of (3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one?
(3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one has a molecular weight of 261.36 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3-ethyl-1-[(1R)-2-hydroxy-1-phenylethyl]-5-methylpiperidin-2-one is sourced from PubChem (CID 11572478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).