1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one

C17H24ClNO2 — CID 82051122

IUPAC1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
SMILESCCOc1ccc(Cl)cc1C(=O)CCN1CCCC(C)C1
InChIInChI=1S/C17H24ClNO2/c1-3-21-17-7-6-14(18)11-15(17)16(20)8-10-19-9-4-5-13(2)12-19/h6-7,11,13H,3-5,8-10,12H2,1-2H3
InChIKeyLQAXIUNWPZNGIF-UHFFFAOYSA-N
MW309.84 g/mol
LogP4.04
Rot. Bonds6

About 1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one

1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 82051122) has the molecular formula C17H24ClNO2 and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID82051122
Molecular FormulaC17H24ClNO2
Molecular Weight309.84 g/mol
Exact Mass309.15
IUPAC Name1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
SMILESCCOc1ccc(Cl)cc1C(=O)CCN1CCCC(C)C1
InChIInChI=1S/C17H24ClNO2/c1-3-21-17-7-6-14(18)11-15(17)16(20)8-10-19-9-4-5-13(2)12-19/h6-7,11,13H,3-5,8-10,12H2,1-2H3
InChIKeyLQAXIUNWPZNGIF-UHFFFAOYSA-N
XLogP4.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(5-chloro-2-ethoxyphenyl)-3-oxopropyl]piperidine-3-carboxylic acid
CID 82073151
1-(5-chloro-2-ethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82051123
1-(2,5-dichlorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82050124
1-[3-(5-chloro-2-ethoxyphenyl)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 82183441
1-[(5-chloro-2-ethoxyphenyl)methyl]-3-methylpiperidine
CID 177027739
1-(5-chloro-2-ethoxyphenyl)-2-piperidin-1-ylethanone
CID 82051125
1-[2-[2-(2-bromo-4-chlorophenoxy)ethoxy]ethyl]-3-methylpiperidine;oxalic acid
CID 2935988
1-(3-ethyl-4-propoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82054261
2-(2,4-dichlorophenoxy)-N-[2-(3-methylpiperidin-1-yl)ethyl]acetamide
CID 54774623
1-(3-amino-4-methoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one
CID 82064904
N-(4-chloro-2-methylphenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 109032944
1-(5-chloro-2-ethoxyphenyl)-2-morpholin-4-ylethanone
CID 82051126

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one (CID 82051122) is 1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one is CCOc1ccc(Cl)cc1C(=O)CCN1CCCC(C)C1.
What is the InChIKey of 1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is LQAXIUNWPZNGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO2/c1-3-21-17-7-6-14(18)11-15(17)16(20)8-10-19-9-4-5-13(2)12-19/h6-7,11,13H,3-5,8-10,12H2,1-2H3.
What are the key properties of 1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one?
1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 309.84 g/mol, XLogP of 4.04, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-ethoxyphenyl)-3-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 82051122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).