1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one

C11H22N2O — CID 62637898

IUPAC1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)N1CCCC(C)C1C
InChIInChI=1S/C11H22N2O/c1-8-6-5-7-13(10(8)3)11(14)9(2)12-4/h8-10,12H,5-7H2,1-4H3
InChIKeyLVSACAXCIOZMLO-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds2

About 1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one

1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one (PubChem CID 62637898) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one
PubChem CID62637898
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)N1CCCC(C)C1C
InChIInChI=1S/C11H22N2O/c1-8-6-5-7-13(10(8)3)11(14)9(2)12-4/h8-10,12H,5-7H2,1-4H3
InChIKeyLVSACAXCIOZMLO-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

1-(2,3-dimethylpiperidin-1-yl)-2-methoxypropan-1-one
CID 115647053
2-amino-1-(2,3-dimethylpiperidin-1-yl)propan-1-one
CID 62123034
3-amino-1-(2,3-dimethylpiperidin-1-yl)-2-methylpropan-1-one
CID 55211075
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 78986525
(2R)-2-amino-1-(2,3-dimethylpiperidin-1-yl)-4-methylpentan-1-one
CID 104903392
2-(methylamino)-N-[1-(2-methylpyrrolidin-1-yl)-1-oxopropan-2-yl]propanamide
CID 123953640
2,3-dimethyl-N-propan-2-ylpiperidine-1-carbothioamide
CID 115646992
2-bromo-1-(2,3-dimethylpiperidin-1-yl)butan-1-one
CID 62856002
2,3-dimethylpiperidine-1-carbonyl chloride
CID 79886901
(2R)-2-[(2,3-dimethylpiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 79010361
1-[2-(3,4-dichlorophenyl)pyrrolidin-1-yl]-2-(methylamino)propan-1-one
CID 62638779
(2,3-dimethylpiperidin-1-yl)-pyrrolidin-1-ylmethanone
CID 115665198

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one (CID 62637898) is 1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one is CNC(C)C(=O)N1CCCC(C)C1C.
What is the InChIKey of 1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one?
The InChIKey is LVSACAXCIOZMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8-6-5-7-13(10(8)3)11(14)9(2)12-4/h8-10,12H,5-7H2,1-4H3.
What are the key properties of 1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one?
1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)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 1-(2,3-dimethylpiperidin-1-yl)-2-(methylamino)propan-1-one is sourced from PubChem (CID 62637898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).