2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine

C17H26BrNO — CID 107912332

IUPAC2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine
SMILESCC(C)c1cc(Br)ccc1OCCC1CCCCN1C
InChIInChI=1S/C17H26BrNO/c1-13(2)16-12-14(18)7-8-17(16)20-11-9-15-6-4-5-10-19(15)3/h7-8,12-13,15H,4-6,9-11H2,1-3H3
InChIKeyIGXLCKCYLNPIBY-UHFFFAOYSA-N
MW340.31 g/mol
LogP4.83
Rot. Bonds5

About 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine

2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine (PubChem CID 107912332) has the molecular formula C17H26BrNO and a molecular weight of 340.31 g/mol. Its IUPAC name is 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine
PubChem CID107912332
Molecular FormulaC17H26BrNO
Molecular Weight340.31 g/mol
Exact Mass339.12
IUPAC Name2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine
SMILESCC(C)c1cc(Br)ccc1OCCC1CCCCN1C
InChIInChI=1S/C17H26BrNO/c1-13(2)16-12-14(18)7-8-17(16)20-11-9-15-6-4-5-10-19(15)3/h7-8,12-13,15H,4-6,9-11H2,1-3H3
InChIKeyIGXLCKCYLNPIBY-UHFFFAOYSA-N
XLogP4.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-bromo-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]-N-ethylethanamine
CID 82956092
5-bromo-2-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzenecarbothioamide
CID 114892254
1-methyl-2-[2-(2-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 107914282
4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
3-chloro-4-[2-(1-methylpiperidin-2-yl)ethoxy]benzonitrile
CID 103603446
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1,3-dioxane
CID 115402495
2-[3-bromo-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanamine
CID 107913194
1-[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]propan-2-amine
CID 107913197
1-methyl-2-[2-[4-methyl-2-[[5-methyl-2-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methyl]phenoxy]ethyl]piperidine
CID 20738685
1-[3-fluoro-4-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]-N-methylethanamine
CID 107911160
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine
CID 2994821
3-chloro-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]aniline
CID 61102885

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine?
The IUPAC name of 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine (CID 107912332) is 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine.
What is the SMILES notation for 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine?
The canonical SMILES for 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine is CC(C)c1cc(Br)ccc1OCCC1CCCCN1C.
What is the InChIKey of 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine?
The InChIKey is IGXLCKCYLNPIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrNO/c1-13(2)16-12-14(18)7-8-17(16)20-11-9-15-6-4-5-10-19(15)3/h7-8,12-13,15H,4-6,9-11H2,1-3H3.
What are the key properties of 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine?
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine has a molecular weight of 340.31 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine is sourced from PubChem (CID 107912332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).