1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone

C18H26ClNO2 — CID 82053366

IUPAC1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone
SMILESCCCOc1cc(C)c(Cl)c(C)c1C(=O)CN1CCCCC1
InChIInChI=1S/C18H26ClNO2/c1-4-10-22-16-11-13(2)18(19)14(3)17(16)15(21)12-20-8-6-5-7-9-20/h11H,4-10,12H2,1-3H3
InChIKeyZOURWEDGRYXIAF-UHFFFAOYSA-N
MW323.86 g/mol
LogP4.41
Rot. Bonds6

About 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone

1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone (PubChem CID 82053366) has the molecular formula C18H26ClNO2 and a molecular weight of 323.86 g/mol. Its IUPAC name is 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone
PubChem CID82053366
Molecular FormulaC18H26ClNO2
Molecular Weight323.86 g/mol
Exact Mass323.17
IUPAC Name1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone
SMILESCCCOc1cc(C)c(Cl)c(C)c1C(=O)CN1CCCCC1
InChIInChI=1S/C18H26ClNO2/c1-4-10-22-16-11-13(2)18(19)14(3)17(16)15(21)12-20-8-6-5-7-9-20/h11H,4-10,12H2,1-3H3
InChIKeyZOURWEDGRYXIAF-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.86
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-propylsulfanylethanone
CID 82053373
1-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193413
1-(3-chloro-4-propoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 82052906
(E)-3-(3-chloro-2,4-dimethyl-6-propoxyphenyl)but-2-enoic acid
CID 83958664
(3-chloro-2,4-dimethyl-6-propoxyphenyl)-pyrrolidin-2-ylmethanone
CID 82553105
1-(4-ethoxy-2,6-dimethylphenyl)-2-piperidin-1-ylethanone
CID 82053135
1-(4,5-dimethyl-2-propoxyphenyl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 93193762
2-(azocan-1-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43219868
1-(2,5-dimethyl-4-propoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 93193553
(E)-4-(3-chloro-2,4-dimethyl-6-propoxyphenyl)hept-3-enoic acid
CID 83958665
1-(5-chloro-2-methoxy-4-methylphenyl)-2-pyrrolidin-1-ylethanone
CID 82053056
3-chloro-2,4-dimethyl-6-propoxyaniline
CID 82053375

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone (CID 82053366) is 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone is CCCOc1cc(C)c(Cl)c(C)c1C(=O)CN1CCCCC1.
What is the InChIKey of 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone?
The InChIKey is ZOURWEDGRYXIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO2/c1-4-10-22-16-11-13(2)18(19)14(3)17(16)15(21)12-20-8-6-5-7-9-20/h11H,4-10,12H2,1-3H3.
What are the key properties of 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone?
1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone has a molecular weight of 323.86 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2,4-dimethyl-6-propoxyphenyl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 82053366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).