1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one

C17H25NO — CID 5143900

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)N1C(C)CCCC1C)c1ccccc1
InChIInChI=1S/C17H25NO/c1-4-16(15-11-6-5-7-12-15)17(19)18-13(2)9-8-10-14(18)3/h5-7,11-14,16H,4,8-10H2,1-3H3
InChIKeyIUAQOZQIIOOPKY-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.97
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one

1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one (PubChem CID 5143900) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one
PubChem CID5143900
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one
SMILESCCC(C(=O)N1C(C)CCCC1C)c1ccccc1
InChIInChI=1S/C17H25NO/c1-4-16(15-11-6-5-7-12-15)17(19)18-13(2)9-8-10-14(18)3/h5-7,11-14,16H,4,8-10H2,1-3H3
InChIKeyIUAQOZQIIOOPKY-UHFFFAOYSA-N
XLogP3.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-1-[(1S,5S)-3-oxa-9-azabicyclo[3.3.1]nonan-9-yl]-2-phenylbutan-1-one
CID 124822959
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 40599711
3-amino-1-(2,6-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 80551725
3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one
CID 83227880
1-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-2-phenylbutan-1-one
CID 43595543
(2S)-1-[(1R,5R)-3-benzyl-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-phenylbutan-1-one
CID 98193939
1-(2,6-dimethylpiperidin-1-yl)-2-[(2-hydroxy-1-phenylethyl)amino]propan-1-one
CID 75501620
1-(3-aminoazetidin-1-yl)-2-phenylbutan-1-one
CID 63753267
(3R)-1-(2-phenylbutanoyl)piperidine-3-carboxylic acid
CID 81119213
1-(2-methylpiperazin-1-yl)-2-phenylbutan-1-one
CID 62673993
2,2-dichloro-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3699318
(2S)-2-amino-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-4-phenylbutan-1-one
CID 104984918

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one (CID 5143900) is 1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one is CCC(C(=O)N1C(C)CCCC1C)c1ccccc1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one?
The InChIKey is IUAQOZQIIOOPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-16(15-11-6-5-7-12-15)17(19)18-13(2)9-8-10-14(18)3/h5-7,11-14,16H,4,8-10H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one?
1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one has a molecular weight of 259.39 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-phenylbutan-1-one is sourced from PubChem (CID 5143900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).