2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one

C11H22N2O — CID 62836548

IUPAC2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCNC(C)(C)C(=O)N1CCCC(C)C1
InChIInChI=1S/C11H22N2O/c1-9-6-5-7-13(8-9)10(14)11(2,3)12-4/h9,12H,5-8H2,1-4H3
InChIKeyYMBNZYJVYAMOKA-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds2

About 2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one

2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 62836548) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID62836548
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCNC(C)(C)C(=O)N1CCCC(C)C1
InChIInChI=1S/C11H22N2O/c1-9-6-5-7-13(8-9)10(14)11(2,3)12-4/h9,12H,5-8H2,1-4H3
InChIKeyYMBNZYJVYAMOKA-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one
CID 40543342
2-methyl-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 62835421
2-amino-2-methyl-1-(3-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 53409021
2,2-dimethyl-3-(3-methylpiperidin-1-yl)-3-oxopropanoic acid
CID 82812943
1-[2-methyl-2-(methylamino)propanoyl]-3-[(sulfamoylamino)methyl]piperidine
CID 62846901
1-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-(methylamino)propan-1-one
CID 102957368
ethane;N-methylmethanamine;1-(3-methylpiperidin-1-yl)ethanone
CID 142926583
4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 63719521
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(methylamino)propan-1-one
CID 94878561
2-methyl-2-(methylamino)-1-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114536828
3-methylpiperidine-1-carboxylic acid
CID 22047728
2-(ethylamino)-2-methyl-1-(4-methylazepan-1-yl)propan-1-one
CID 63626151

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one (CID 62836548) is 2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one is CNC(C)(C)C(=O)N1CCCC(C)C1.
What is the InChIKey of 2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is YMBNZYJVYAMOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9-6-5-7-13(8-9)10(14)11(2,3)12-4/h9,12H,5-8H2,1-4H3.
What are the key properties of 2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one?
2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 198.31 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 62836548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).