1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone

C14H18BrNO3 — CID 60680649

IUPAC1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCCC(O)C2)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-19-14-5-4-10(7-12(14)15)13(18)9-16-6-2-3-11(17)8-16/h4-5,7,11,17H,2-3,6,8-9H2,1H3
InChIKeyFLBVBIGXDLQPIY-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.10
Rot. Bonds4

About 1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone

1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone (PubChem CID 60680649) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
PubChem CID60680649
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
SMILESCOc1ccc(C(=O)CN2CCCC(O)C2)cc1Br
InChIInChI=1S/C14H18BrNO3/c1-19-14-5-4-10(7-12(14)15)13(18)9-16-6-2-3-11(17)8-16/h4-5,7,11,17H,2-3,6,8-9H2,1H3
InChIKeyFLBVBIGXDLQPIY-UHFFFAOYSA-N
XLogP2.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromo-4-methoxyphenyl)-2-[3-(dimethylamino)pyrrolidin-1-yl]ethanone
CID 63165013
2-(3-hydroxypiperidin-1-yl)-1-(3-methoxyphenyl)ethanone
CID 56829037
1-[2-(3-bromo-4-methoxyphenyl)-2-oxoethyl]piperidin-4-one
CID 62050465
1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63764057
1-(3-bromo-4-methoxyphenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone
CID 43796996
1-(3-bromo-4-methoxyphenyl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690667
1-(3-bromo-4-methoxyphenyl)-2-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116635406
1-(3-bromo-4-methoxyphenyl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63634797
2-(3-hydroxypiperidin-1-yl)-1-(4-propylphenyl)ethanone
CID 62035423
1-(2-bromophenyl)-2-(3-hydroxypiperidin-1-yl)ethanone
CID 60680607
1-(3-chloro-4-methoxyphenyl)-2-pyrrolidin-1-ylethanone
CID 43227598
N-[(3-bromo-4-methoxyphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
CID 110922318

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone (CID 60680649) is 1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone is COc1ccc(C(=O)CN2CCCC(O)C2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone?
The InChIKey is FLBVBIGXDLQPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-19-14-5-4-10(7-12(14)15)13(18)9-16-6-2-3-11(17)8-16/h4-5,7,11,17H,2-3,6,8-9H2,1H3.
What are the key properties of 1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone?
1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone has a molecular weight of 328.21 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 60680649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).