2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone

C18H27NO — CID 116569699

IUPAC2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(C)cccc2C)CCCNC1
InChIInChI=1S/C18H27NO/c1-4-9-18(10-6-11-19-13-18)17(20)12-16-14(2)7-5-8-15(16)3/h5,7-8,19H,4,6,9-13H2,1-3H3
InChIKeyREXUIPJAKHQSTG-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.58
Rot. Bonds5

About 2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone

2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone (PubChem CID 116569699) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
PubChem CID116569699
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
SMILESCCCC1(C(=O)Cc2c(C)cccc2C)CCCNC1
InChIInChI=1S/C18H27NO/c1-4-9-18(10-6-11-19-13-18)17(20)12-16-14(2)7-5-8-15(16)3/h5,7-8,19H,4,6,9-13H2,1-3H3
InChIKeyREXUIPJAKHQSTG-UHFFFAOYSA-N
XLogP3.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-dimethylphenyl)-(3-propylpiperidin-3-yl)methanone
CID 116569681
2-(4-fluoro-2-methylphenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 114350405
2-(3-chloro-2-fluorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 102865090
2-(2,6-dimethylphenyl)-1-(2-propylpyrrolidin-2-yl)ethanone
CID 106976659
2-(2,5-dichlorophenyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569754
2-(furan-2-yl)-1-(3-propylpyrrolidin-3-yl)ethanone
CID 116570610
2-(5-ethyl-2-pyridinyl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569629
2-(2-ethyl-5-methylpyrazol-3-yl)-1-(3-propylpiperidin-3-yl)ethanone
CID 116569789
ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 56753093
ethyl (3R)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 95213169
1-(3-propylpiperidin-3-yl)but-3-yn-1-one
CID 116569591
2-(2-chloro-6-fluorophenyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568506

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone (CID 116569699) is 2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone is CCCC1(C(=O)Cc2c(C)cccc2C)CCCNC1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone?
The InChIKey is REXUIPJAKHQSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-9-18(10-6-11-19-13-18)17(20)12-16-14(2)7-5-8-15(16)3/h5,7-8,19H,4,6,9-13H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone?
2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone has a molecular weight of 273.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(3-propylpiperidin-3-yl)ethanone is sourced from PubChem (CID 116569699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).