(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one

C13H26N2O — CID 103928383

IUPAC(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC1CCCC(C)N1C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9-7-6-8-10(2)15(9)12(16)11(14)13(3,4)5/h9-11H,6-8,14H2,1-5H3/t9?,10?,11-/m0/s1
InChIKeyYYQQGCWSVNJQOT-ILDUYXDCSA-N
MW226.36 g/mol
LogP2.15
Rot. Bonds1

About (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one

(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one (PubChem CID 103928383) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
PubChem CID103928383
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
SMILESCC1CCCC(C)N1C(=O)[C@H](N)C(C)(C)C
InChIInChI=1S/C13H26N2O/c1-9-7-6-8-10(2)15(9)12(16)11(14)13(3,4)5/h9-11H,6-8,14H2,1-5H3/t9?,10?,11-/m0/s1
InChIKeyYYQQGCWSVNJQOT-ILDUYXDCSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,5-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 77077441
2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3699318
(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one
CID 103796395
(2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 131089577
2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one
CID 70860436
2-amino-3,3-dimethyl-1-(4-methylazepan-1-yl)butan-1-one
CID 77002418
(2S)-2-amino-3,3-dimethyl-1-(4-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 119675086
(2S)-1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-2-amino-3,3-dimethylbutan-1-one
CID 119788119
(2S)-2-amino-3,3-dimethyl-1-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 79938834
1-(2,6-dimethylpiperidin-1-yl)-2-hydroxy-2-methylpropan-1-one
CID 103429422
(2R)-2-amino-1-(2,5-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 103928484
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methoxypropan-1-one
CID 103715028

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one (CID 103928383) is (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one is CC1CCCC(C)N1C(=O)[C@H](N)C(C)(C)C.
What is the InChIKey of (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
The InChIKey is YYQQGCWSVNJQOT-ILDUYXDCSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9-7-6-8-10(2)15(9)12(16)11(14)13(3,4)5/h9-11H,6-8,14H2,1-5H3/t9?,10?,11-/m0/s1.
What are the key properties of (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one?
(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 103928383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).