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

C13H26N2O — CID 62331604

IUPAC2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCC(C)CC1C
InChIInChI=1S/C13H26N2O/c1-9(2)7-12(14)13(16)15-6-5-10(3)8-11(15)4/h9-12H,5-8,14H2,1-4H3
InChIKeyKEPHBJNGVYCXLN-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds3

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

2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one (PubChem CID 62331604) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one
PubChem CID62331604
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one
SMILESCC(C)CC(N)C(=O)N1CCC(C)CC1C
InChIInChI=1S/C13H26N2O/c1-9(2)7-12(14)13(16)15-6-5-10(3)8-11(15)4/h9-12H,5-8,14H2,1-4H3
InChIKeyKEPHBJNGVYCXLN-UHFFFAOYSA-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-(2,4-dimethylpiperidin-1-yl)butan-1-one
CID 79023304
(2R)-2-amino-1-(2,4-dimethylpiperidin-1-yl)pentan-1-one
CID 103796187
(2S)-2-amino-1-[(2R,3S)-2,3-dimethylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 124681873
1-[(2S,4S)-2,4-dimethylpiperidin-1-yl]-2-hydroxypropan-1-one
CID 131132075
2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one
CID 106774404
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanethioamide
CID 62331621
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one
CID 104903392
3-(2,4-dimethylpiperidin-1-yl)-2-methyl-3-oxopropanenitrile
CID 62332512
(2R)-2-amino-1-[(2S)-2-ethyl-4-methylpyrrolidin-1-yl]-4-methylpentan-1-one
CID 143509162
(2S)-1-[(2S)-2-amino-4-methylpentanoyl]piperidine-2-carboxylic acid
CID 66263946
(2S)-1-(2-amino-4-methylpentanoyl)piperidine-2-carboxylic acid
CID 66263387
1-[(2S)-2-aminobutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 103871148

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one?
The IUPAC name of 2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one (CID 62331604) is 2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one?
The canonical SMILES for 2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one is CC(C)CC(N)C(=O)N1CCC(C)CC1C.
What is the InChIKey of 2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one?
The InChIKey is KEPHBJNGVYCXLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)7-12(14)13(16)15-6-5-10(3)8-11(15)4/h9-12H,5-8,14H2,1-4H3.
What are the key properties of 2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one?
2-amino-1-(2,4-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 2-amino-1-(2,4-dimethylpiperidin-1-yl)-4-methylpentan-1-one is sourced from PubChem (CID 62331604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).