1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone

C13H16BrNO2 — CID 60680607

IUPAC1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CN1CCCC(O)C1)c1ccccc1Br
InChIInChI=1S/C13H16BrNO2/c14-12-6-2-1-5-11(12)13(17)9-15-7-3-4-10(16)8-15/h1-2,5-6,10,16H,3-4,7-9H2
InChIKeyHCSSTAURJBEPHI-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.09
Rot. Bonds3

About 1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone

1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 60680607) has the molecular formula C13H16BrNO2 and a molecular weight of 298.18 g/mol. Its IUPAC name is 1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID60680607
Molecular FormulaC13H16BrNO2
Molecular Weight298.18 g/mol
Exact Mass297.04
IUPAC Name1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
SMILESO=C(CN1CCCC(O)C1)c1ccccc1Br
InChIInChI=1S/C13H16BrNO2/c14-12-6-2-1-5-11(12)13(17)9-15-7-3-4-10(16)8-15/h1-2,5-6,10,16H,3-4,7-9H2
InChIKeyHCSSTAURJBEPHI-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 43219429
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(2-bromophenyl)ethanone
CID 79943573
1-(2-bromophenyl)-2-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133026
1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62941529
1-(2-bromophenyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63170584
1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60680649
1-(2-bromophenyl)-2-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 54977317
2-(3-aminopiperidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 62037679
1-(2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 4042984
2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56829037
2-(3-hydroxypiperidin-1-yl)-1-(4-propylphenyl)ethanone
CID 62035423
2-(3-ethylpiperidin-1-yl)-1-(2-methylphenyl)ethanone
CID 43797125

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone (CID 60680607) is 1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone is O=C(CN1CCCC(O)C1)c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is HCSSTAURJBEPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO2/c14-12-6-2-1-5-11(12)13(17)9-15-7-3-4-10(16)8-15/h1-2,5-6,10,16H,3-4,7-9H2.
What are the key properties of 1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone?
1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 298.18 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 60680607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).