2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one

C14H18BrNO3 — CID 43391848

IUPAC2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccc(Br)cc1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C14H18BrNO3/c1-10(19-13-4-2-11(15)3-5-13)14(18)16-8-6-12(17)7-9-16/h2-5,10,12,17H,6-9H2,1H3
InChIKeyVDEIINBJHUQLDR-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.20
Rot. Bonds3

About 2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one

2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 43391848) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID43391848
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccc(Br)cc1)C(=O)N1CCC(O)CC1
InChIInChI=1S/C14H18BrNO3/c1-10(19-13-4-2-11(15)3-5-13)14(18)16-8-6-12(17)7-9-16/h2-5,10,12,17H,6-9H2,1H3
InChIKeyVDEIINBJHUQLDR-UHFFFAOYSA-N
XLogP2.20
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
2-(4-bromophenoxy)-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 63106235
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 8587224
2-(4-bromophenoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 55065748
1-(4-hydroxypiperidin-1-yl)-2-(3-methyl-4-propan-2-ylphenoxy)propan-1-one
CID 110895183
2-(4-bromophenoxy)-1-(4-hydroxy-4-methylpiperidin-1-yl)propan-1-one
CID 80707640
1-(3-hydroxypyrrolidin-1-yl)-2-(4-methoxyphenoxy)propan-1-one
CID 55130764
1-(3-hydroxypyrrolidin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 62916587
2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 111118289
(2R)-2-(4-bromophenoxy)-1-[(3R)-3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 124613300

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 43391848) is 2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one is CC(Oc1ccc(Br)cc1)C(=O)N1CCC(O)CC1.
What is the InChIKey of 2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is VDEIINBJHUQLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-10(19-13-4-2-11(15)3-5-13)14(18)16-8-6-12(17)7-9-16/h2-5,10,12,17H,6-9H2,1H3.
What are the key properties of 2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one has a molecular weight of 328.21 g/mol, XLogP of 2.20, 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-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 43391848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).