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

C14H18BrNO3 — CID 111118289

IUPAC2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccccc1Br)C(=O)N1CCC(O)CC1
InChIInChI=1S/C14H18BrNO3/c1-10(19-13-5-3-2-4-12(13)15)14(18)16-8-6-11(17)7-9-16/h2-5,10-11,17H,6-9H2,1H3
InChIKeyKESZZMSHPRIULV-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.20
Rot. Bonds3

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

2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one (PubChem CID 111118289) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
PubChem CID111118289
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
SMILESCC(Oc1ccccc1Br)C(=O)N1CCC(O)CC1
InChIInChI=1S/C14H18BrNO3/c1-10(19-13-5-3-2-4-12(13)15)14(18)16-8-6-11(17)7-9-16/h2-5,10-11,17H,6-9H2,1H3
InChIKeyKESZZMSHPRIULV-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

(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
2-(2-chlorophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43417497
(2R)-2-(2-bromophenoxy)-1-[4-[2-hydroxyethyl(methyl)amino]piperidin-1-yl]propan-1-one
CID 97328285
2-[[1-[2-(2-bromophenoxy)propanoyl]piperidin-4-yl]-methylamino]acetic acid
CID 128998127
2-(4-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391848
2-(2-bromophenoxy)-N-(4-hydroxycyclohexyl)propanamide
CID 111118280
1-(4-hydroxypiperidin-1-yl)-2-(4-phenylphenoxy)propan-1-one
CID 110888002
(3R)-1-[(2S)-2-(2-bromophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 124696026
2-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]oxybenzonitrile
CID 66291798
2-(4-chloro-2-methylphenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 43391831
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 66262018
2-(2-bromophenoxy)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide
CID 110280483

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one (CID 111118289) is 2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one is CC(Oc1ccccc1Br)C(=O)N1CCC(O)CC1.
What is the InChIKey of 2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
The InChIKey is KESZZMSHPRIULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-10(19-13-5-3-2-4-12(13)15)14(18)16-8-6-11(17)7-9-16/h2-5,10-11,17H,6-9H2,1H3.
What are the key properties of 2-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one?
2-(2-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-(2-bromophenoxy)-1-(4-hydroxypiperidin-1-yl)propan-1-one is sourced from PubChem (CID 111118289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).