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

C17H24ClNO2 — CID 82052874

IUPAC1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCCOc1ccc(C(=O)CN2CC(C)CC(C)C2)cc1Cl
InChIInChI=1S/C17H24ClNO2/c1-4-21-17-6-5-14(8-15(17)18)16(20)11-19-9-12(2)7-13(3)10-19/h5-6,8,12-13H,4,7,9-11H2,1-3H3
InChIKeyPJBRQWYZTYJIDI-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.90
Rot. Bonds5

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

1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 82052874) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID82052874
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCCOc1ccc(C(=O)CN2CC(C)CC(C)C2)cc1Cl
InChIInChI=1S/C17H24ClNO2/c1-4-21-17-6-5-14(8-15(17)18)16(20)11-19-9-12(2)7-13(3)10-19/h5-6,8,12-13H,4,7,9-11H2,1-3H3
InChIKeyPJBRQWYZTYJIDI-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-1-(2-ethoxyphenyl)ethanone
CID 43794286
1-(3-chloro-4-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82052865
1-(3-chloro-4-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82052906
1-(3-chloro-4-ethoxyphenyl)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 175667113
1-(3-chloro-4-propan-2-yloxyphenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 82052943
1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052898
3-chloro-4-ethoxybenzoate
CID 6927202
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
1-(3,4-diethoxyphenyl)-2-piperidin-1-ylethanone
CID 82050354
1-(3-chloro-4-ethoxyphenyl)propane-1,2-dione
CID 82287879
1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052845
(3-chloro-4-ethoxyphenyl)-piperidin-1-ylmethanone
CID 95970604

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone (CID 82052874) is 1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone is CCOc1ccc(C(=O)CN2CC(C)CC(C)C2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is PJBRQWYZTYJIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-4-21-17-6-5-14(8-15(17)18)16(20)11-19-9-12(2)7-13(3)10-19/h5-6,8,12-13H,4,7,9-11H2,1-3H3.
What are the key properties of 1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone?
1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 309.84 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethoxyphenyl)-2-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 82052874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).