2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone

C16H22ClNO2 — CID 2931607

IUPAC2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H22ClNO2/c1-11-6-12(2)9-18(8-11)16(19)10-20-15-5-4-14(17)7-13(15)3/h4-5,7,11-12H,6,8-10H2,1-3H3
InChIKeyQCNNTQWBCZSCQU-UHFFFAOYSA-N
MW295.81 g/mol
LogP3.53
Rot. Bonds3

About 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 2931607) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID2931607
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCc1cc(Cl)ccc1OCC(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C16H22ClNO2/c1-11-6-12(2)9-18(8-11)16(19)10-20-15-5-4-14(17)7-13(15)3/h4-5,7,11-12H,6,8-10H2,1-3H3
InChIKeyQCNNTQWBCZSCQU-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-cyclohexyl-N-methylacetamide
CID 692216
2-(4-chloro-3-methylphenoxy)-N,N-di(propan-2-yl)acetamide
CID 883742
(E)-3-{4-[(3-chlorobenzyl)oxy]phenyl}-1-morpholino-2-propen-1-one
CID 1491240
2-(4-chloro-2,6-dimethylphenoxy)-N-cycloheptylacetamide
CID 4843615
2-(4-chloro-2-methylphenoxy)-N-cyclopentylacetamide
CID 871922
1-[(4-Chlorophenoxy)acetyl]-4-(phenylacetyl)piperazine
CID 1072066
[1-(Dimethylamino)-1-oxopropan-2-yl] 2-(4-chloro-2-methylphenoxy)acetate
CID 658406
1-[(4-Chlorophenoxy)acetyl]piperidine
CID 742653
1-(4-Benzylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 752941
1-[(4-Chloro-2-methylphenoxy)acetyl]-4-methylpiperazine
CID 774163
(R)-1-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-(4-chlorophenoxy)ethanone
CID 9999626
4-[2-[5-Chloro-2-(2-phenylethoxy)phenyl]ethyl]morpholine;oxalic acid
CID 18986847

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 2931607) is 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone is Cc1cc(Cl)ccc1OCC(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is QCNNTQWBCZSCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-11-6-12(2)9-18(8-11)16(19)10-20-15-5-4-14(17)7-13(15)3/h4-5,7,11-12H,6,8-10H2,1-3H3.
What are the key properties of 2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-(4-chloro-2-methylphenoxy)-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 295.81 g/mol, XLogP of 3.53, 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-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 2931607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).