2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one

C11H22N2O2 — CID 102957109

IUPAC2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C11H22N2O2/c1-7(2)10(12)11(15)13-5-4-8(3)9(14)6-13/h7-10,14H,4-6,12H2,1-3H3
InChIKeyDGBYTLOKAYYXMJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.20
Rot. Bonds2

About 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one

2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one (PubChem CID 102957109) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one
PubChem CID102957109
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one
SMILESCC(C)C(N)C(=O)N1CCC(C)C(O)C1
InChIInChI=1S/C11H22N2O2/c1-7(2)10(12)11(15)13-5-4-8(3)9(14)6-13/h7-10,14H,4-6,12H2,1-3H3
InChIKeyDGBYTLOKAYYXMJ-UHFFFAOYSA-N
XLogP0.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylpropan-1-one
CID 103900653
(2R)-2-amino-3-methyl-1-(3-methylpyrrolidin-1-yl)butan-1-one
CID 79013338
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylpentan-1-one
CID 102957127
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 79180939
(2S)-2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 102957113
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)pent-4-en-1-one
CID 102957240
(2R)-2-amino-1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 103942705
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
2-amino-1-[3-[cyclopropyl(methyl)amino]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 77144341
2-amino-3-methyl-1-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 121226203
1-[(2R)-2-amino-3-methylbutanoyl]pyrrolidine-3-carbonitrile
CID 164650433
(2S)-2-amino-3-methyl-1-[3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]butan-1-one
CID 66568039

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one?
The IUPAC name of 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one (CID 102957109) is 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one is CC(C)C(N)C(=O)N1CCC(C)C(O)C1.
What is the InChIKey of 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one?
The InChIKey is DGBYTLOKAYYXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-7(2)10(12)11(15)13-5-4-8(3)9(14)6-13/h7-10,14H,4-6,12H2,1-3H3.
What are the key properties of 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one?
2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxy-4-methylpiperidin-1-yl)-3-methylbutan-1-one is sourced from PubChem (CID 102957109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).