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

C16H22BrNO2 — CID 107228009

IUPAC1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(Br)cc1)N1CCCC(CCO)C1
InChIInChI=1S/C16H22BrNO2/c1-12(16(20)14-4-6-15(17)7-5-14)18-9-2-3-13(11-18)8-10-19/h4-7,12-13,19H,2-3,8-11H2,1H3
InChIKeyBTDFHYSRBYQZGR-UHFFFAOYSA-N
MW340.26 g/mol
LogP3.11
Rot. Bonds5

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

1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (PubChem CID 107228009) has the molecular formula C16H22BrNO2 and a molecular weight of 340.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
PubChem CID107228009
Molecular FormulaC16H22BrNO2
Molecular Weight340.26 g/mol
Exact Mass339.08
IUPAC Name1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
SMILESCC(C(=O)c1ccc(Br)cc1)N1CCCC(CCO)C1
InChIInChI=1S/C16H22BrNO2/c1-12(16(20)14-4-6-15(17)7-5-14)18-9-2-3-13(11-18)8-10-19/h4-7,12-13,19H,2-3,8-11H2,1H3
InChIKeyBTDFHYSRBYQZGR-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-(4-methoxyphenyl)propan-1-one
CID 107228031
1-(4-fluorophenyl)-2-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 106587711
2-(3-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 110184706
1-(4-bromophenyl)-2-(2-methylpyrrolidin-1-yl)propan-1-one
CID 54882483
2-(3-aminopiperidin-1-yl)-1-(4-chlorophenyl)propan-1-one
CID 62036312
1-(4-bromophenyl)-3-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 107228840
2-[3-(2-hydroxyethyl)piperidin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 55064381
1-(4-methoxyphenyl)-2-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 62029422
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-propylpropanamide
CID 62358014
1-(4-bromophenyl)-2-(2-propylpiperidin-1-yl)propan-1-one
CID 83055660
1-(4-bromophenyl)-2-(3,4,5-trimethylpiperazin-1-yl)propan-1-one
CID 114538607
(2R)-N-[4-(difluoromethoxy)phenyl]-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propanamide
CID 98761137

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one (CID 107228009) is 1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is CC(C(=O)c1ccc(Br)cc1)N1CCCC(CCO)C1.
What is the InChIKey of 1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
The InChIKey is BTDFHYSRBYQZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrNO2/c1-12(16(20)14-4-6-15(17)7-5-14)18-9-2-3-13(11-18)8-10-19/h4-7,12-13,19H,2-3,8-11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one?
1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one has a molecular weight of 340.26 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 107228009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).