1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone

C15H20BrNO2 — CID 61215953

IUPAC1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCN(CC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H20BrNO2/c1-2-19-14-6-8-17(9-7-14)11-15(18)12-4-3-5-13(16)10-12/h3-5,10,14H,2,6-9,11H2,1H3
InChIKeyFCVFVIKSPKITDB-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.13
Rot. Bonds5

About 1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone

1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone (PubChem CID 61215953) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
PubChem CID61215953
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
SMILESCCOC1CCN(CC(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C15H20BrNO2/c1-2-19-14-6-8-17(9-7-14)11-15(18)12-4-3-5-13(16)10-12/h3-5,10,14H,2,6-9,11H2,1H3
InChIKeyFCVFVIKSPKITDB-UHFFFAOYSA-N
XLogP3.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]ethanone
CID 64597175
1-(4-chlorophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone
CID 61216135
1-(4-bromophenyl)-3-(4-ethoxypiperidin-1-yl)propan-1-one
CID 62612812
1-(3-bromophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 63170629
1-(3-bromophenyl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 43227090
1-(3-bromophenyl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 55049854
1-(3-bromophenyl)-2-(1,4-diazepan-1-yl)ethanone
CID 62036990
1-(3-bromophenyl)-2-(2-methylmorpholin-4-yl)ethanone
CID 43794567
1-(3-bromophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanone
CID 54886122
1-(3-bromophenyl)-2-(7,7-dimethyl-1,4-thiazepan-4-yl)ethanone
CID 107456818
1-(3,4-dimethylphenyl)-2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
CID 82016086
2-(4-ethoxypiperidin-1-yl)-1-(5-ethylthiophen-2-yl)ethanone
CID 61219184

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone (CID 61215953) is 1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone is CCOC1CCN(CC(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone?
The InChIKey is FCVFVIKSPKITDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-2-19-14-6-8-17(9-7-14)11-15(18)12-4-3-5-13(16)10-12/h3-5,10,14H,2,6-9,11H2,1H3.
What are the key properties of 1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone?
1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone has a molecular weight of 326.23 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-2-(4-ethoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 61215953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).