(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one

C12H24N2O — CID 103796395

IUPAC(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one
SMILESCCC[C@@H](N)C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C12H24N2O/c1-4-6-11(13)12(15)14-9(2)7-5-8-10(14)3/h9-11H,4-8,13H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyUROSCBQCBMREGI-OUAUKWLOSA-N
MW212.34 g/mol
LogP1.90
Rot. Bonds3

About (2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one

(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one (PubChem CID 103796395) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one
PubChem CID103796395
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one
SMILESCCC[C@@H](N)C(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C12H24N2O/c1-4-6-11(13)12(15)14-9(2)7-5-8-10(14)3/h9-11H,4-8,13H2,1-3H3/t9-,10+,11-/m1/s1
InChIKeyUROSCBQCBMREGI-OUAUKWLOSA-N
XLogP1.90
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81081732
2-amino-1-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pentan-1-one
CID 119324400
2-amino-1-(2,5-dimethylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119328145
(2S)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-phenylbutan-1-one
CID 104984918
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride
CID 119326391
2-amino-1-(3-methylpiperidin-1-yl)pentan-1-one
CID 43649995
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
2-bromo-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]butan-1-one
CID 104967100
(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928383
(2R)-2-amino-1-(2,4-dimethylpiperidin-1-yl)pentan-1-one
CID 103796187
2-amino-1-(4-methylazepan-1-yl)pentan-1-one;hydrochloride
CID 119307771
(2S)-2-amino-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 93255628

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one?
The IUPAC name of (2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one (CID 103796395) is (2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one is CCC[C@@H](N)C(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of (2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one?
The InChIKey is UROSCBQCBMREGI-OUAUKWLOSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-6-11(13)12(15)14-9(2)7-5-8-10(14)3/h9-11H,4-8,13H2,1-3H3/t9-,10+,11-/m1/s1.
What are the key properties of (2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one?
(2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentan-1-one is sourced from PubChem (CID 103796395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).