2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone

C14H18BrNO2 — CID 795328

IUPAC2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone
SMILESCc1ccc(OCC(=O)N2CCCCC2)c(Br)c1
InChIInChI=1S/C14H18BrNO2/c1-11-5-6-13(12(15)9-11)18-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyCWXGKTYLHLGAPW-UHFFFAOYSA-N
MW312.21 g/mol
LogP3.15
Rot. Bonds3

About 2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone

2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone (PubChem CID 795328) has the molecular formula C14H18BrNO2 and a molecular weight of 312.21 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone
PubChem CID795328
Molecular FormulaC14H18BrNO2
Molecular Weight312.21 g/mol
Exact Mass311.05
IUPAC Name2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone
SMILESCc1ccc(OCC(=O)N2CCCCC2)c(Br)c1
InChIInChI=1S/C14H18BrNO2/c1-11-5-6-13(12(15)9-11)18-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3
InChIKeyCWXGKTYLHLGAPW-UHFFFAOYSA-N
XLogP3.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bromo-4-isopropylphenoxy)-N-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 1319582
(2E)-3-(3-bromo-4-methoxyphenyl)-N-cyclohexyl-N-methylprop-2-enamide
CID 1189186
1-(Azepan-1-yl)-2-(2-bromo-4-tert-butylphenoxy)ethanone
CID 2202481
2-(4-Methylphenoxy)-1-(4-methylpiperazin-1-yl)ethan-1-one
CID 880785
2-(2-Bromo-4-methylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 868012
4-{[(1-Bromo-2-naphthyl)oxy]acetyl}morpholine
CID 1010736
2-(2-Bromo-4-tert-butylphenoxy)-1-(4-methylpiperazin-1-yl)ethanone
CID 1291479
1-[(2-Bromo-4-isopropylphenoxy)acetyl]-4-methylpiperazine
CID 1318258
1-(1-Azepanyl)-2-(2-bromo-4-propan-2-ylphenoxy)ethanone
CID 1319018
2-[(2-Bromo-4-methylphenoxy)acetyl]-1,2,3,4-tetrahydroisoquinoline
CID 1370376
3-(3-Bromo-4-methoxyphenyl)-2-(4-morpholinylcarbonyl)acrylonitrile
CID 2256979
3-(2-bromo-4-methylphenoxy)-N,N-diethyl-1-propanamine
CID 2297511

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone (CID 795328) is 2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone is Cc1ccc(OCC(=O)N2CCCCC2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone?
The InChIKey is CWXGKTYLHLGAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO2/c1-11-5-6-13(12(15)9-11)18-10-14(17)16-7-3-2-4-8-16/h5-6,9H,2-4,7-8,10H2,1H3.
What are the key properties of 2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone?
2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone has a molecular weight of 312.21 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenoxy)-1-piperidin-1-ylethanone is sourced from PubChem (CID 795328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).