(2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one

C15H21NO4 — CID 3050452

IUPAC(2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
SMILESCOc1ccc([C@@H]2CC(=O)[C@](C)(O)CN2C)c(OC)c1
InChIInChI=1S/C15H21NO4/c1-15(18)9-16(2)12(8-14(15)17)11-6-5-10(19-3)7-13(11)20-4/h5-7,12,18H,8-9H2,1-4H3/t12-,15+/m0/s1
InChIKeyVXFQLNLHEJJZPW-SWLSCSKDSA-N
MW279.34 g/mol
LogP1.40
Rot. Bonds3

About (2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one

(2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one (PubChem CID 3050452) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one.

Molecular Properties

Compound Name(2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
PubChem CID3050452
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one
SMILESCOc1ccc([C@@H]2CC(=O)[C@](C)(O)CN2C)c(OC)c1
InChIInChI=1S/C15H21NO4/c1-15(18)9-16(2)12(8-14(15)17)11-6-5-10(19-3)7-13(11)20-4/h5-7,12,18H,8-9H2,1-4H3/t12-,15+/m0/s1
InChIKeyVXFQLNLHEJJZPW-SWLSCSKDSA-N
XLogP1.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
(2S,5R)-1-benzyl-5-hydroxy-2-(2-methoxyphenyl)-5-methylpiperidin-4-one
CID 95988908
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
(4R)-4-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 94097508
3-(2,4-dimethoxyphenyl)-2,2-dimethylcyclobutan-1-ol
CID 81416329
2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 55409373
5-(2,4-dimethoxyphenyl)-2-(hydroxymethylidene)cyclohexane-1,3-dione
CID 146459311
4-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]butane-1-sulfonic acid
CID 8834922
(5S)-3-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 41176561
(2R)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934327
(2S)-2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]propanamide
CID 11934325
4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 124886513

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one?
The IUPAC name of (2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one (CID 3050452) is (2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one.
What is the SMILES notation for (2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one?
The canonical SMILES for (2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one is COc1ccc([C@@H]2CC(=O)[C@](C)(O)CN2C)c(OC)c1.
What is the InChIKey of (2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one?
The InChIKey is VXFQLNLHEJJZPW-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(18)9-16(2)12(8-14(15)17)11-6-5-10(19-3)7-13(11)20-4/h5-7,12,18H,8-9H2,1-4H3/t12-,15+/m0/s1.
What are the key properties of (2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one?
(2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one has a molecular weight of 279.34 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-(2,4-dimethoxyphenyl)-5-hydroxy-1,5-dimethylpiperidin-4-one is sourced from PubChem (CID 3050452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).