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

C16H25BrN2O — CID 2994821

IUPAC1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine
SMILESCC(C)c1cc(Br)ccc1OCCN1CCN(C)CC1
InChIInChI=1S/C16H25BrN2O/c1-13(2)15-12-14(17)4-5-16(15)20-11-10-19-8-6-18(3)7-9-19/h4-5,12-13H,6-11H2,1-3H3
InChIKeyPWOLHJKSYDAIJO-UHFFFAOYSA-N
MW341.29 g/mol
LogP3.20
Rot. Bonds5

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

1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine (PubChem CID 2994821) has the molecular formula C16H25BrN2O and a molecular weight of 341.29 g/mol. Its IUPAC name is 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine
PubChem CID2994821
Molecular FormulaC16H25BrN2O
Molecular Weight341.29 g/mol
Exact Mass340.12
IUPAC Name1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine
SMILESCC(C)c1cc(Br)ccc1OCCN1CCN(C)CC1
InChIInChI=1S/C16H25BrN2O/c1-13(2)15-12-14(17)4-5-16(15)20-11-10-19-8-6-18(3)7-9-19/h4-5,12-13H,6-11H2,1-3H3
InChIKeyPWOLHJKSYDAIJO-UHFFFAOYSA-N
XLogP3.20
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-bromo-2-propan-2-ylphenoxy)butyl]-4-methylpiperazine;hydrochloride
CID 2996696
(1S)-1-[4-bromo-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanol
CID 102949111
1-[4-bromo-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]ethanol
CID 102948295
(1R)-1-[5-bromo-2-(2-piperidin-1-ylethoxy)phenyl]ethanamine
CID 78937362
5-bromo-2-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonyl chloride
CID 82910911
1-[3-(4-bromo-2-methylphenoxy)propyl]-4-methylpiperazine
CID 2296492
1-[4-(4-bromo-2-methylphenoxy)butyl]-4-methylpiperazine
CID 2299895
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]imidazole
CID 2996043
4-bromo-1-[2-(2-methoxyethoxy)ethoxy]-2-propan-2-ylbenzene
CID 113302957
2-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-1-methylpiperidine
CID 107912332
4-bromo-1-(2-phenylethoxy)-2-propan-2-ylbenzene
CID 115401938
1-[2-(4-bromo-2-methylphenoxy)ethyl]piperidine
CID 803338

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine (CID 2994821) is 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine is CC(C)c1cc(Br)ccc1OCCN1CCN(C)CC1.
What is the InChIKey of 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine?
The InChIKey is PWOLHJKSYDAIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2O/c1-13(2)15-12-14(17)4-5-16(15)20-11-10-19-8-6-18(3)7-9-19/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine?
1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine has a molecular weight of 341.29 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-bromo-2-propan-2-ylphenoxy)ethyl]-4-methylpiperazine is sourced from PubChem (CID 2994821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).