(2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one

C10H19NO2 — CID 2057148

IUPAC(2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one
SMILESCOCCN1CCC(=O)[C@H](C)[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-8-9(2)11(6-7-13-3)5-4-10(8)12/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyYMUKGDAOKKQTSW-BDAKNGLRSA-N
MW185.27 g/mol
LogP0.93
Rot. Bonds3

About (2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one

(2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one (PubChem CID 2057148) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one.

Molecular Properties

Compound Name(2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one
PubChem CID2057148
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one
SMILESCOCCN1CCC(=O)[C@H](C)[C@@H]1C
InChIInChI=1S/C10H19NO2/c1-8-9(2)11(6-7-13-3)5-4-10(8)12/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1
InChIKeyYMUKGDAOKKQTSW-BDAKNGLRSA-N
XLogP0.93
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one?
The IUPAC name of (2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one (CID 2057148) is (2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one.
What is the SMILES notation for (2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one?
The canonical SMILES for (2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one is COCCN1CCC(=O)[C@H](C)[C@@H]1C.
What is the InChIKey of (2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one?
The InChIKey is YMUKGDAOKKQTSW-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-9(2)11(6-7-13-3)5-4-10(8)12/h8-9H,4-7H2,1-3H3/t8-,9+/m1/s1.
What are the key properties of (2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one?
(2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one has a molecular weight of 185.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-(2-methoxyethyl)-2,3-dimethylpiperidin-4-one is sourced from PubChem (CID 2057148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).