1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one

C17H25NO2 — CID 102960650

IUPAC1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCCN(C(C)C(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C17H25NO2/c1-12-7-8-13(2)16(10-12)17(19)14(3)18-9-5-6-15(11-18)20-4/h7-8,10,14-15H,5-6,9,11H2,1-4H3
InChIKeyXXHDZCRCILYTQR-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.99
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one

1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one (PubChem CID 102960650) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
PubChem CID102960650
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCCN(C(C)C(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C17H25NO2/c1-12-7-8-13(2)16(10-12)17(19)14(3)18-9-5-6-15(11-18)20-4/h7-8,10,14-15H,5-6,9,11H2,1-4H3
InChIKeyXXHDZCRCILYTQR-UHFFFAOYSA-N
XLogP2.99
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-2-(3-hydroxypiperidin-1-yl)propan-1-one
CID 60680696
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-(2,5-dimethylphenyl)propan-1-one
CID 115560638
1-(2,5-dimethylphenyl)-2-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 62974335
1-[1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
CID 60680101
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(2,5-dimethylphenyl)propan-1-one
CID 62062563
1-[1-(2-methoxy-5-methylphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 82026424
1-(4-methoxyphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one
CID 102960681
1-[1-(2,4-dimethylphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 82026423
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
N-(4-aminophenyl)-2-(3-methoxypiperidin-1-yl)propanamide
CID 102956363
1-(2,4-dimethylphenyl)-2-pyrrolidin-1-ylpropan-1-one;hydrochloride
CID 171323393
1-(2,5-dimethylphenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propan-1-one
CID 62547330

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one (CID 102960650) is 1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one is COC1CCCN(C(C)C(=O)c2cc(C)ccc2C)C1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one?
The InChIKey is XXHDZCRCILYTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-7-8-13(2)16(10-12)17(19)14(3)18-9-5-6-15(11-18)20-4/h7-8,10,14-15H,5-6,9,11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one?
1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(3-methoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 102960650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).