1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

C16H22BrNO2 — CID 107228830

IUPAC1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCC(CCO)C1)c1cccc(Br)c1
InChIInChI=1S/C16H22BrNO2/c17-15-5-1-4-14(11-15)16(20)6-9-18-8-2-3-13(12-18)7-10-19/h1,4-5,11,13,19H,2-3,6-10,12H2
InChIKeyJHTFACYEYHTMTC-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.12
Rot. Bonds6

About 1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 107228830) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID107228830
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCC(CCO)C1)c1cccc(Br)c1
InChIInChI=1S/C16H22BrNO2/c17-15-5-1-4-14(11-15)16(20)6-9-18-8-2-3-13(12-18)7-10-19/h1,4-5,11,13,19H,2-3,6-10,12H2
InChIKeyJHTFACYEYHTMTC-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one 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-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228840
(3-bromophenyl)-[3-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 62372501
3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 104926788
1-(3-bromophenyl)-3-(4-methylazepan-1-yl)propan-1-one
CID 63624671
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 62630181
1-(3-bromophenyl)-3-[2-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 62613958
1-(3-bromophenyl)-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62612826
1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 62931132
1-(3-bromophenyl)-3-thiomorpholin-4-ylpropan-1-one
CID 55094321
1-(3-bromophenyl)-3-[2-(hydroxymethyl)azepan-1-yl]propan-1-one
CID 116638066
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 107228085
1-(3-bromophenyl)-2-cyclopentylethanone
CID 62620769

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 107228830) is 1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is O=C(CCN1CCCC(CCO)C1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is JHTFACYEYHTMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c17-15-5-1-4-14(11-15)16(20)6-9-18-8-2-3-13(12-18)7-10-19/h1,4-5,11,13,19H,2-3,6-10,12H2.
What are the key properties of 1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 340.26 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 107228830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).