1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

C16H22BrNO2 — CID 107228840

IUPAC1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCC(CCO)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c17-15-5-3-14(4-6-15)16(20)7-10-18-9-1-2-13(12-18)8-11-19/h3-6,13,19H,1-2,7-12H2
InChIKeyGGLORFBBFNBGHF-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.12
Rot. Bonds6

About 1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one

1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 107228840) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID107228840
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESO=C(CCN1CCCC(CCO)C1)c1ccc(Br)cc1
InChIInChI=1S/C16H22BrNO2/c17-15-5-3-14(4-6-15)16(20)7-10-18-9-1-2-13(12-18)8-11-19/h3-6,13,19H,1-2,7-12H2
InChIKeyGGLORFBBFNBGHF-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

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Related Compounds

3-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 104926788
1-(3-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228830
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]ethoxy]benzoic acid
CID 107227861
1-(4-bromophenyl)-3-(2-methyl-1,4-oxazepan-4-yl)propan-1-one
CID 55140173
3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-bromophenyl)propan-1-one
CID 79919095
1-(4-methylphenyl)-3-(3-propylpyrrolidin-1-yl)propan-1-one
CID 113418810
4-[2-[3-(2-hydroxyethyl)piperidin-1-yl]acetyl]benzonitrile
CID 107228070
1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228009
3-bromo-4-[[3-(2-hydroxyethyl)piperidin-1-yl]methyl]benzoic acid
CID 107227881
1-(4-ethoxyphenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 107228038
4-[3-(2-hydroxyethyl)piperidin-1-yl]-1-thiophen-2-ylbutan-1-one
CID 107228085
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 112628840

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 107228840) is 1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is O=C(CCN1CCCC(CCO)C1)c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is GGLORFBBFNBGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c17-15-5-3-14(4-6-15)16(20)7-10-18-9-1-2-13(12-18)8-11-19/h3-6,13,19H,1-2,7-12H2.
What are the key properties of 1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
1-(4-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-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 107228840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).