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

C14H19NO2 — CID 101405670

IUPAC(3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one
SMILESC[C@H]1C(=O)N(Cc2ccccc2)CC[C@@]1(C)O
InChIInChI=1S/C14H19NO2/c1-11-13(16)15(9-8-14(11,2)17)10-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyXFGXABOGVYWPGY-SMDDNHRTSA-N
MW233.31 g/mol
LogP1.81
Rot. Bonds2

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

(3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one (PubChem CID 101405670) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one.

Molecular Properties

Compound Name(3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one
PubChem CID101405670
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one
SMILESC[C@H]1C(=O)N(Cc2ccccc2)CC[C@@]1(C)O
InChIInChI=1S/C14H19NO2/c1-11-13(16)15(9-8-14(11,2)17)10-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3/t11-,14+/m0/s1
InChIKeyXFGXABOGVYWPGY-SMDDNHRTSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one?
The IUPAC name of (3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one (CID 101405670) is (3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one.
What is the SMILES notation for (3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one?
The canonical SMILES for (3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one is C[C@H]1C(=O)N(Cc2ccccc2)CC[C@@]1(C)O.
What is the InChIKey of (3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one?
The InChIKey is XFGXABOGVYWPGY-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-13(16)15(9-8-14(11,2)17)10-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3/t11-,14+/m0/s1.
What are the key properties of (3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one?
(3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-benzyl-4-hydroxy-3,4-dimethylpiperidin-2-one is sourced from PubChem (CID 101405670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).