(3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

C13H26N2O3 — CID 25303708

IUPAC(3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCC[C@@](O)(CNC(C)(C)C)C1=O
InChIInChI=1S/C13H26N2O3/c1-12(2,3)14-10-13(17)6-5-7-15(11(13)16)8-9-18-4/h14,17H,5-10H2,1-4H3/t13-/m1/s1
InChIKeyKUIXCJJCWFITCY-CYBMUJFWSA-N
MW258.36 g/mol
LogP0.37
Rot. Bonds5

About (3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one

(3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (PubChem CID 25303708) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is (3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.

Molecular Properties

Compound Name(3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
PubChem CID25303708
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
SMILESCOCCN1CCC[C@@](O)(CNC(C)(C)C)C1=O
InChIInChI=1S/C13H26N2O3/c1-12(2,3)14-10-13(17)6-5-7-15(11(13)16)8-9-18-4/h14,17H,5-10H2,1-4H3/t13-/m1/s1
InChIKeyKUIXCJJCWFITCY-CYBMUJFWSA-N
XLogP0.37
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The IUPAC name of (3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one (CID 25303708) is (3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one.
What is the SMILES notation for (3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The canonical SMILES for (3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is COCCN1CCC[C@@](O)(CNC(C)(C)C)C1=O.
What is the InChIKey of (3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
The InChIKey is KUIXCJJCWFITCY-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-12(2,3)14-10-13(17)6-5-7-15(11(13)16)8-9-18-4/h14,17H,5-10H2,1-4H3/t13-/m1/s1.
What are the key properties of (3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one?
(3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one has a molecular weight of 258.36 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(tert-butylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one is sourced from PubChem (CID 25303708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).