2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one

C15H20BrNO3 — CID 80707640

IUPAC2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccc(Br)cc1)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C15H20BrNO3/c1-11(20-13-5-3-12(16)4-6-13)14(18)17-9-7-15(2,19)8-10-17/h3-6,11,19H,7-10H2,1-2H3
InChIKeyOWHIPOOAELSBOZ-UHFFFAOYSA-N
MW342.23 g/mol
LogP2.59
Rot. Bonds3

About 2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one

2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one (PubChem CID 80707640) has the molecular formula C15H20BrNO3 and a molecular weight of 342.23 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
PubChem CID80707640
Molecular FormulaC15H20BrNO3
Molecular Weight342.23 g/mol
Exact Mass341.06
IUPAC Name2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccc(Br)cc1)C(=O)N1CCC(C)(O)CC1
InChIInChI=1S/C15H20BrNO3/c1-11(20-13-5-3-12(16)4-6-13)14(18)17-9-7-15(2,19)8-10-17/h3-6,11,19H,7-10H2,1-2H3
InChIKeyOWHIPOOAELSBOZ-UHFFFAOYSA-N
XLogP2.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-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

2-(4-bromophenoxy)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 46568654
1-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 103726829
(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 8587224
2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391848
2-(4-bromophenoxy)-1-(1,4-diazepan-1-yl)propan-1-one
CID 119418410
2-(4-bromophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 63106235
2-(4-bromophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916938
2-(4-bromophenoxy)-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 66261639
1'-[2-(4-bromophenoxy)propanoyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735051
1-(4-acetylpiperazin-1-yl)-2-(6-bromonaphthalen-2-yl)oxypropan-1-one
CID 78841438
(2R)-2-(6-bromonaphthalen-2-yl)oxy-1-piperidin-1-ylpropan-1-one
CID 7916276
2-(4-bromophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 55065748

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one (CID 80707640) is 2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one is CC(Oc1ccc(Br)cc1)C(=O)N1CCC(C)(O)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is OWHIPOOAELSBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO3/c1-11(20-13-5-3-12(16)4-6-13)14(18)17-9-7-15(2,19)8-10-17/h3-6,11,19H,7-10H2,1-2H3.
What are the key properties of 2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one?
2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 342.23 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 80707640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).