3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one

C20H22BrNO2 — CID 5122422

IUPAC3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cc(Br)ccc1O)N1CCCCC1
InChIInChI=1S/C20H22BrNO2/c21-16-9-10-19(23)18(13-16)17(15-7-3-1-4-8-15)14-20(24)22-11-5-2-6-12-22/h1,3-4,7-10,13,17,23H,2,5-6,11-12,14H2
InChIKeyUFDZACYACAMOFS-UHFFFAOYSA-N
MW388.31 g/mol
LogP4.69
Rot. Bonds4

About 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one

3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one (PubChem CID 5122422) has the molecular formula C20H22BrNO2 and a molecular weight of 388.31 g/mol. Its IUPAC name is 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
PubChem CID5122422
Molecular FormulaC20H22BrNO2
Molecular Weight388.31 g/mol
Exact Mass387.08
IUPAC Name3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one
SMILESO=C(CC(c1ccccc1)c1cc(Br)ccc1O)N1CCCCC1
InChIInChI=1S/C20H22BrNO2/c21-16-9-10-19(23)18(13-16)17(15-7-3-1-4-8-15)14-20(24)22-11-5-2-6-12-22/h1,3-4,7-10,13,17,23H,2,5-6,11-12,14H2
InChIKeyUFDZACYACAMOFS-UHFFFAOYSA-N
XLogP4.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.31
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one (CID 5122422) is 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one is O=C(CC(c1ccccc1)c1cc(Br)ccc1O)N1CCCCC1.
What is the InChIKey of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
The InChIKey is UFDZACYACAMOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrNO2/c21-16-9-10-19(23)18(13-16)17(15-7-3-1-4-8-15)14-20(24)22-11-5-2-6-12-22/h1,3-4,7-10,13,17,23H,2,5-6,11-12,14H2.
What are the key properties of 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one?
3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one has a molecular weight of 388.31 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-hydroxyphenyl)-3-phenyl-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 5122422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).