1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one

C10H19NO — CID 103715004

IUPAC1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C10H19NO/c1-4-10(12)11-8(2)6-5-7-9(11)3/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKeyAVIXWDCUWLWLAS-DTORHVGOSA-N
MW169.27 g/mol
LogP2.19
Rot. Bonds1

About 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one

1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one (PubChem CID 103715004) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
PubChem CID103715004
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one
SMILESCCC(=O)N1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C10H19NO/c1-4-10(12)11-8(2)6-5-7-9(11)3/h8-9H,4-7H2,1-3H3/t8-,9+
InChIKeyAVIXWDCUWLWLAS-DTORHVGOSA-N
XLogP2.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3R,5S)-3,5-dimethylmorpholin-4-yl]propan-1-one
CID 118219644
(2S)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid;(2S,5S)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid;(2S,5R)-5-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 161467903
ethyl 4-(2,6-dimethylpiperidin-1-yl)-4-oxobutanoate
CID 63282257
1-(2,6-dimethylpiperidin-1-yl)-3-(ethylamino)propan-1-one
CID 62833376
cyclopropyl-[(2R,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 130610084
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-piperazin-1-ylethanone
CID 29008935
1-(2-acetyl-5-methylpyrrolidin-1-yl)propan-1-one;ethane
CID 142269040
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-methylpentan-1-one
CID 58689259
1-(2,6-dimethylpiperidin-1-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 75399387
2-(azetidin-3-yl)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 103810444
(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124835751
1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-(methylamino)butan-1-one
CID 93314949

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one?
The IUPAC name of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one (CID 103715004) is 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one?
The canonical SMILES for 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one is CCC(=O)N1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one?
The InChIKey is AVIXWDCUWLWLAS-DTORHVGOSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-10(12)11-8(2)6-5-7-9(11)3/h8-9H,4-7H2,1-3H3/t8-,9+.
What are the key properties of 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one?
1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one has a molecular weight of 169.27 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]propan-1-one is sourced from PubChem (CID 103715004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).