2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone

C15H20BrNO3 — CID 82691138

IUPAC2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Br)c1)N1CCC(OCCO)CC1
InChIInChI=1S/C15H20BrNO3/c16-13-3-1-2-12(10-13)11-15(19)17-6-4-14(5-7-17)20-9-8-18/h1-3,10,14,18H,4-9,11H2
InChIKeyPGFRVPPPESLRHK-UHFFFAOYSA-N
MW342.23 g/mol
LogP1.99
Rot. Bonds5

About 2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone

2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone (PubChem CID 82691138) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
PubChem CID82691138
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone
SMILESO=C(Cc1cccc(Br)c1)N1CCC(OCCO)CC1
InChIInChI=1S/C15H20BrNO3/c16-13-3-1-2-12(10-13)11-15(19)17-6-4-14(5-7-17)20-9-8-18/h1-3,10,14,18H,4-9,11H2
InChIKeyPGFRVPPPESLRHK-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-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-[4-(2-bromoethoxy)piperidin-1-yl]-2-(3-bromophenyl)ethanone
CID 82701483
2-(3-bromophenyl)-1-[3-(2-methoxyethoxy)azetidin-1-yl]ethanone
CID 71979960
2-(3-bromophenyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119623852
1-[4-(2-hydroxyethoxy)piperidin-1-yl]-2-phenylmethoxyethanone
CID 82016141
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 79737478
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 79736194
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-chlorophenyl)ethanone
CID 79736993
1-(4-benzylpiperazin-1-yl)-2-(3-bromophenyl)ethanone
CID 100698276
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-chlorophenyl)ethanone;hydrochloride
CID 86813278
2-(3-fluorophenyl)-1-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]ethanone
CID 91907818
2-(3-bromophenyl)-1-(1,4-diazabicyclo[3.2.2]nonan-4-yl)ethanone
CID 166206257
2-(3-bromophenyl)-1-[4-(2-chloroethyl)piperazin-1-yl]ethanone
CID 63394942

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone?
The IUPAC name of 2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone (CID 82691138) is 2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone is O=C(Cc1cccc(Br)c1)N1CCC(OCCO)CC1.
What is the InChIKey of 2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone?
The InChIKey is PGFRVPPPESLRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c16-13-3-1-2-12(10-13)11-15(19)17-6-4-14(5-7-17)20-9-8-18/h1-3,10,14,18H,4-9,11H2.
What are the key properties of 2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone?
2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone has a molecular weight of 342.23 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 82691138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).