1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one

C11H21NO3 — CID 103900310

IUPAC1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C11H21NO3/c1-8-5-6-12(7-9(8)13)10(14)11(2,3)15-4/h8-9,13H,5-7H2,1-4H3
InChIKeyNIPFJWPSFWLMND-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds2

About 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one

1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one (PubChem CID 103900310) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
PubChem CID103900310
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one
SMILESCOC(C)(C)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C11H21NO3/c1-8-5-6-12(7-9(8)13)10(14)11(2,3)15-4/h8-9,13H,5-7H2,1-4H3
InChIKeyNIPFJWPSFWLMND-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-methoxy-2-methylpropan-1-one
CID 103021611
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 102956889
2-(3-hydroxy-4-methylpiperidine-1-carbonyl)-2-methylbutanenitrile
CID 102957679
(3-hydroxy-4-methylpiperidin-1-yl)-(2-methylcyclopropyl)methanone
CID 103900359
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
2-methoxy-2-methyl-1-(4-propylpiperidin-1-yl)propan-1-one
CID 103720323
2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 102961867
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-propylpentan-1-one
CID 102956890
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
3-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 102962213
1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one
CID 102957368
1-(2-methoxy-2-methylpropanoyl)piperidine-3-sulfonamide
CID 103710680

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one?
The IUPAC name of 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one (CID 103900310) is 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one?
The canonical SMILES for 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one is COC(C)(C)C(=O)N1CCC(C)C(O)C1.
What is the InChIKey of 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one?
The InChIKey is NIPFJWPSFWLMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8-5-6-12(7-9(8)13)10(14)11(2,3)15-4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one?
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one has a molecular weight of 215.29 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methoxy-2-methylpropan-1-one is sourced from PubChem (CID 103900310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).