1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone

C16H23NO2 — CID 110755902

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C16H23NO2/c1-12-6-4-9-15(10-12)19-11-16(18)17-13(2)7-5-8-14(17)3/h4,6,9-10,13-14H,5,7-8,11H2,1-3H3
InChIKeyJDTQHIWADNKIMQ-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.16
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone (PubChem CID 110755902) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone
PubChem CID110755902
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone
SMILESCc1cccc(OCC(=O)N2C(C)CCCC2C)c1
InChIInChI=1S/C16H23NO2/c1-12-6-4-9-15(10-12)19-11-16(18)17-13(2)7-5-8-14(17)3/h4,6,9-10,13-14H,5,7-8,11H2,1-3H3
InChIKeyJDTQHIWADNKIMQ-UHFFFAOYSA-N
XLogP3.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 16769713
3-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]benzonitrile
CID 7964565
1-(2,6-dimethylpiperidin-1-yl)-2-(3-nitrophenoxy)ethanone
CID 78762245
N-[3-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 95567750
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 769399
2-methyl-1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylic acid
CID 106741951
2-(4-acetyl-3-fluorophenoxy)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 95316685
2-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-methylbenzamide
CID 46681061
1-[2-(3-methylphenoxy)acetyl]piperidine-2-carboxylic acid
CID 43092194
1-[4-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]phenyl]propan-1-one
CID 78760343
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848
1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885314

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone (CID 110755902) is 1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone is Cc1cccc(OCC(=O)N2C(C)CCCC2C)c1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone?
The InChIKey is JDTQHIWADNKIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-6-4-9-15(10-12)19-11-16(18)17-13(2)7-5-8-14(17)3/h4,6,9-10,13-14H,5,7-8,11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone has a molecular weight of 261.37 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-(3-methylphenoxy)ethanone is sourced from PubChem (CID 110755902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).