(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one

C14H19NO2 — CID 156527480

IUPAC(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
SMILESC[C@@H]1C[C@H](O)[C@@H](C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-10-8-13(16)11(2)14(17)15(10)9-12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3/t10-,11-,13+/m1/s1
InChIKeyIPAAYFQCWVTXPP-WZRBSPASSA-N
MW233.31 g/mol
LogP1.80
Rot. Bonds2

About (3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one

(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one (PubChem CID 156527480) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one.

Molecular Properties

Compound Name(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
PubChem CID156527480
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one
SMILESC[C@@H]1C[C@H](O)[C@@H](C)C(=O)N1Cc1ccccc1
InChIInChI=1S/C14H19NO2/c1-10-8-13(16)11(2)14(17)15(10)9-12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3/t10-,11-,13+/m1/s1
InChIKeyIPAAYFQCWVTXPP-WZRBSPASSA-N
XLogP1.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-1-benzyl-5-methyl-3-phenylpyrrolidin-2-one
CID 102599255
4-benzyl-2,5-dimethylmorpholin-3-one
CID 123662409
(1S,4R)-2-benzyl-5-hydroxy-2-azabicyclo[2.2.1]heptan-3-one
CID 155164341
(3R,4R)-1-benzyl-3-methyl-4-phenylsulfanylazetidin-2-one
CID 15624083
(3R,4S)-1-benzyl-4-hydroxy-3,5,5-trimethylpiperidin-2-one
CID 102330721
(3R,5R)-1-benzyl-3-methyl-5-phenylpyrrolidin-2-one
CID 102276897
(1S,3R,5R,6R)-7-benzyl-3,5-dihydroxy-3-methyl-2-oxa-7-azabicyclo[4.2.0]octan-8-one
CID 102040133
1-benzyl-6-methylpiperidine-3,4-diol
CID 6421584
3-benzyl-4-hydroxy-3-azabicyclo[3.2.1]octan-2-one
CID 139809899
1-benzyl-5-methyl-3-methylidenepyrrolidin-2-one
CID 19068314
1,4-dibenzyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
CID 66575696
1-benzyl-3,3-difluoro-5-hydroxypyrrolidin-2-one
CID 101435027

Frequently Asked Questions

What is the IUPAC name of (3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one?
The IUPAC name of (3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one (CID 156527480) is (3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one.
What is the SMILES notation for (3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one?
The canonical SMILES for (3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one is C[C@@H]1C[C@H](O)[C@@H](C)C(=O)N1Cc1ccccc1.
What is the InChIKey of (3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one?
The InChIKey is IPAAYFQCWVTXPP-WZRBSPASSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-8-13(16)11(2)14(17)15(10)9-12-6-4-3-5-7-12/h3-7,10-11,13,16H,8-9H2,1-2H3/t10-,11-,13+/m1/s1.
What are the key properties of (3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one?
(3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,6R)-1-benzyl-4-hydroxy-3,6-dimethylpiperidin-2-one is sourced from PubChem (CID 156527480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).