(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one

C13H26N2O — CID 104903392

IUPAC(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)C[C@@H](N)C(=O)N1CCCC(C)C1C
InChIInChI=1S/C13H26N2O/c1-9(2)8-12(14)13(16)15-7-5-6-10(3)11(15)4/h9-12H,5-8,14H2,1-4H3/t10?,11?,12-/m1/s1
InChIKeyLLRLYLNXAZILPH-HTAVTVPLSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds3

About (2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one

(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one (PubChem CID 104903392) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one
PubChem CID104903392
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)C[C@@H](N)C(=O)N1CCCC(C)C1C
InChIInChI=1S/C13H26N2O/c1-9(2)8-12(14)13(16)15-7-5-6-10(3)11(15)4/h9-12H,5-8,14H2,1-4H3/t10?,11?,12-/m1/s1
InChIKeyLLRLYLNXAZILPH-HTAVTVPLSA-N
XLogP2.01
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 124681873
2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034
(2S)-2-amino-1-(2,3-dimethylpiperidin-1-yl)hexan-1-one
CID 103831675
(2R)-1-[(2S)-2-amino-4-methylpentanoyl]pyrrolidine-2-carbaldehyde
CID 90727915
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylsulfanylbutan-1-one
CID 104908334
3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
CID 55211075
(2S)-1-(2-amino-4-methylpentanoyl)piperidine-2-carboxylic acid
CID 66263387
(2S)-2-amino-1-[2-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155952
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid
CID 66263946

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of (2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one (CID 104903392) is (2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for (2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one is CC(C)C[C@@H](N)C(=O)N1CCCC(C)C1C.
What is the InChIKey of (2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one?
The InChIKey is LLRLYLNXAZILPH-HTAVTVPLSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)8-12(14)13(16)15-7-5-6-10(3)11(15)4/h9-12H,5-8,14H2,1-4H3/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one?
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one has a molecular weight of 226.36 g/mol, XLogP of 2.01, 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-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 104903392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).