(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one

C14H19NO2 — CID 175215749

IUPAC(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one
SMILESC[C@H]1CCC(=O)N(C(CO)c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-11-7-8-14(17)15(9-11)13(10-16)12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3/t11-,13?/m0/s1
InChIKeyUGQRLWBUHBVWDH-AMGKYWFPSA-N
MW233.31 g/mol
LogP1.98
Rot. Bonds3

About (5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one

(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one (PubChem CID 175215749) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one
PubChem CID175215749
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one
SMILESC[C@H]1CCC(=O)N(C(CO)c2ccccc2)C1
InChIInChI=1S/C14H19NO2/c1-11-7-8-14(17)15(9-11)13(10-16)12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3/t11-,13?/m0/s1
InChIKeyUGQRLWBUHBVWDH-AMGKYWFPSA-N
XLogP1.98
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(2-oxo-1,2-diphenylethyl)piperidin-2-one
CID 19049071
1-[(1R)-2-hydroxy-1-phenylethyl]-4-methylpiperidine-2,6-dione
CID 95027251
1-[(1S)-2-hydroxy-1-phenylethyl]pyrrolidine-2,5-dione
CID 71354940
(5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one
CID 11276994
1-[(1R)-2-hydroxy-1-phenylethyl]piperidine-2,6-dione
CID 107863789
(5S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]pyrrolidin-2-one
CID 53349746
1-benzyl-4-[(1S)-2-hydroxy-1-phenylethyl]-1,4-diazepan-5-one
CID 24761280
2-(2-methylazetidin-1-yl)-2-phenylethanol
CID 104549553
(5S)-1-[(1S)-2-hydroxy-1-phenylethyl]-5-prop-2-enylpyrrolidin-2-one
CID 11357004
(5R)-5-(4-bromophenyl)-1-(2-hydroxy-1-phenylethyl)pyrrolidin-2-one
CID 174483543
1-(2-hydroxy-1-phenylethyl)imidazolidin-2-one
CID 112756247
1-[(1R)-2-hydroxy-1-phenylethyl]imidazolidin-2-one
CID 107863748

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one?
The IUPAC name of (5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one (CID 175215749) is (5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one.
What is the SMILES notation for (5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one?
The canonical SMILES for (5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one is C[C@H]1CCC(=O)N(C(CO)c2ccccc2)C1.
What is the InChIKey of (5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one?
The InChIKey is UGQRLWBUHBVWDH-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-7-8-14(17)15(9-11)13(10-16)12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3/t11-,13?/m0/s1.
What are the key properties of (5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one?
(5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(2-hydroxy-1-phenylethyl)-5-methylpiperidin-2-one is sourced from PubChem (CID 175215749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).