2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one

C13H26N2O — CID 114290621

IUPAC2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one
SMILESCCC(C)(CN)C(=O)N1CCC(C)CC1C
InChIInChI=1S/C13H26N2O/c1-5-13(4,9-14)12(16)15-7-6-10(2)8-11(15)3/h10-11H,5-9,14H2,1-4H3
InChIKeyHPOPHZOAKBDXGZ-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.01
Rot. Bonds3

About 2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one

2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one (PubChem CID 114290621) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one
PubChem CID114290621
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one
SMILESCCC(C)(CN)C(=O)N1CCC(C)CC1C
InChIInChI=1S/C13H26N2O/c1-5-13(4,9-14)12(16)15-7-6-10(2)8-11(15)3/h10-11H,5-9,14H2,1-4H3
InChIKeyHPOPHZOAKBDXGZ-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

2-(2,4-dimethylpiperidine-1-carbonyl)-2-ethylbutanenitrile
CID 62329830
2-(aminomethyl)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-methylbutan-1-one
CID 107217992
2-(2,4-dimethylpiperidine-1-carbonyl)-2-propylpentanethioamide
CID 62331429
2-(aminomethyl)-1-(3-hydroxy-4-methylpiperidin-1-yl)-2-methylbutan-1-one
CID 102956889
1-[2-(aminomethyl)-2-ethylbutanoyl]-4-methylpiperidine-2-carboxylic acid
CID 114424633
(2S)-2-amino-1-(2,4-dimethylpiperidin-1-yl)butan-1-one
CID 79023304
2-(aminomethyl)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methylbutan-1-one
CID 113270081
N-(2-aminoethyl)-2-(2,4-dimethylpiperidin-1-yl)-2-oxoacetamide
CID 62330298
N,N-diethyl-2,4-dimethylpiperidine-1-carboxamide
CID 115644391
ethyl 2-[(2,4-dimethylpiperidine-1-carbonyl)amino]acetate
CID 55061328
2-(2,4-dimethylpyrrolidine-1-carbonyl)-N'-hydroxy-2-methylbutanimidamide
CID 104876922
(2R)-2-amino-1-(2,4-dimethylpiperidin-1-yl)pentan-1-one
CID 103796187

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one?
The IUPAC name of 2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one (CID 114290621) is 2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one is CCC(C)(CN)C(=O)N1CCC(C)CC1C.
What is the InChIKey of 2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one?
The InChIKey is HPOPHZOAKBDXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-13(4,9-14)12(16)15-7-6-10(2)8-11(15)3/h10-11H,5-9,14H2,1-4H3.
What are the key properties of 2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one?
2-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-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-(aminomethyl)-1-(2,4-dimethylpiperidin-1-yl)-2-methylbutan-1-one is sourced from PubChem (CID 114290621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).