3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one

C17H25NO2 — CID 134060467

IUPAC3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCc1cc(C)cc(OCCC(=O)N2CCCCC2C)c1
InChIInChI=1S/C17H25NO2/c1-13-10-14(2)12-16(11-13)20-9-7-17(19)18-8-5-4-6-15(18)3/h10-12,15H,4-9H2,1-3H3
InChIKeyWSZZPIUSVUMTAZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.47
Rot. Bonds4

About 3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one

3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one (PubChem CID 134060467) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
PubChem CID134060467
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one
SMILESCc1cc(C)cc(OCCC(=O)N2CCCCC2C)c1
InChIInChI=1S/C17H25NO2/c1-13-10-14(2)12-16(11-13)20-9-7-17(19)18-8-5-4-6-15(18)3/h10-12,15H,4-9H2,1-3H3
InChIKeyWSZZPIUSVUMTAZ-UHFFFAOYSA-N
XLogP3.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-3-(3,5-dimethylphenoxy)propan-1-one
CID 39349318
1-(2-methylpiperidin-1-yl)-2-(2,4,6-trimethylphenoxy)ethanone
CID 112787708
3-(3,5-dimethylphenoxy)-1-[(2R)-2-[(3R,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]propan-1-one
CID 129447177
1,5-bis[(2R)-2-methylpiperidin-1-yl]pentane-1,5-dione
CID 40599340
(2R)-1-[3-(4-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035326
1-[(2S)-2-methylazepan-1-yl]-6-[(2R)-2-methylazepan-1-yl]hexane-1,6-dione
CID 97317052
1-[2-(hydroxymethyl)azepan-1-yl]-3-(4-methylphenoxy)propan-1-one
CID 116636124
3-(3,5-dimethylphenoxy)-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119545622
3-amino-1-(2-methylpiperidin-1-yl)propan-1-one
CID 16796103
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-(3,5-dimethylphenoxy)propan-1-one;hydrochloride
CID 120815097
2-(4-methoxyphenoxy)-1-(2-methylpiperidin-1-yl)ethanone
CID 4541588
1-[2-(bromomethyl)pyrrolidin-1-yl]-3-(3-methylphenoxy)propan-1-one
CID 80678341

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one (CID 134060467) is 3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one is Cc1cc(C)cc(OCCC(=O)N2CCCCC2C)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one?
The InChIKey is WSZZPIUSVUMTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-13-10-14(2)12-16(11-13)20-9-7-17(19)18-8-5-4-6-15(18)3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one?
3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one has a molecular weight of 275.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-1-(2-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 134060467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).