2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone

C16H22ClNO2 — CID 2941235

IUPAC2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1C(C)CCCC1C
InChIInChI=1S/C16H22ClNO2/c1-11-9-14(17)7-8-15(11)20-10-16(19)18-12(2)5-4-6-13(18)3/h7-9,12-13H,4-6,10H2,1-3H3
InChIKeyYWNLOMZLBCZQCV-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.82
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone

2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone (PubChem CID 2941235) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone
PubChem CID2941235
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1C(C)CCCC1C
InChIInChI=1S/C16H22ClNO2/c1-11-9-14(17)7-8-15(11)20-10-16(19)18-12(2)5-4-6-13(18)3/h7-9,12-13H,4-6,10H2,1-3H3
InChIKeyYWNLOMZLBCZQCV-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone (CID 2941235) is 2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone is Cc1cc(Cl)ccc1OCC(=O)N1C(C)CCCC1C.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
The InChIKey is YWNLOMZLBCZQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11-9-14(17)7-8-15(11)20-10-16(19)18-12(2)5-4-6-13(18)3/h7-9,12-13H,4-6,10H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone?
2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone has a molecular weight of 295.81 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-1-(2,6-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 2941235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).