1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one

C15H20ClNO2 — CID 62628820

IUPAC1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCN(CCC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO2/c1-19-14-5-8-17(9-6-14)10-7-15(18)12-3-2-4-13(16)11-12/h2-4,11,14H,5-10H2,1H3
InChIKeyTZZLXZFZKWWCIR-UHFFFAOYSA-N
MW281.78 g/mol
LogP3.02
Rot. Bonds5

About 1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one

1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one (PubChem CID 62628820) has the molecular formula C15H20ClNO2 and a molecular weight of 281.78 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one
PubChem CID62628820
Molecular FormulaC15H20ClNO2
Molecular Weight281.78 g/mol
Exact Mass281.12
IUPAC Name1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one
SMILESCOC1CCN(CCC(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H20ClNO2/c1-19-14-5-8-17(9-6-14)10-7-15(18)12-3-2-4-13(16)11-12/h2-4,11,14H,5-10H2,1H3
InChIKeyTZZLXZFZKWWCIR-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.78
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chlorophenyl)-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 113418799
3-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(3-chlorophenyl)propan-1-one
CID 63482998
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62630181
N-(2-amino-4-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propanamide
CID 43372578
1-(3-fluorophenyl)-3-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 63972803
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832
1-(2,4-dichlorophenyl)-2-(4-methoxypiperidin-1-yl)ethanone
CID 43796259
1-(3-chlorophenyl)-3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 63768041
1-(3-chlorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 112626373
3-(3-methoxypiperidin-1-yl)-1-phenylpropan-1-one
CID 103935591
1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052845
1-(3-chlorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62631068

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one (CID 62628820) is 1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one is COC1CCN(CCC(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one?
The InChIKey is TZZLXZFZKWWCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO2/c1-19-14-5-8-17(9-6-14)10-7-15(18)12-3-2-4-13(16)11-12/h2-4,11,14H,5-10H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one?
1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one has a molecular weight of 281.78 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(4-methoxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 62628820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).