1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine

C14H21BrN2 — CID 107639895

IUPAC1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(c2cccc(Br)c2C)CCN1
InChIInChI=1S/C14H21BrN2/c1-4-14(3)10-17(9-8-16-14)13-7-5-6-12(15)11(13)2/h5-7,16H,4,8-10H2,1-3H3
InChIKeyJZNPSIVJSVIPCY-UHFFFAOYSA-N
MW297.24 g/mol
LogP3.34
Rot. Bonds2

About 1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine

1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine (PubChem CID 107639895) has the molecular formula C14H21BrN2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine.

Molecular Properties

Compound Name1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine
PubChem CID107639895
Molecular FormulaC14H21BrN2
Molecular Weight297.24 g/mol
Exact Mass296.09
IUPAC Name1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine
SMILESCCC1(C)CN(c2cccc(Br)c2C)CCN1
InChIInChI=1S/C14H21BrN2/c1-4-14(3)10-17(9-8-16-14)13-7-5-6-12(15)11(13)2/h5-7,16H,4,8-10H2,1-3H3
InChIKeyJZNPSIVJSVIPCY-UHFFFAOYSA-N
XLogP3.34
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine?
The IUPAC name of 1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine (CID 107639895) is 1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine.
What is the SMILES notation for 1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine?
The canonical SMILES for 1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine is CCC1(C)CN(c2cccc(Br)c2C)CCN1.
What is the InChIKey of 1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine?
The InChIKey is JZNPSIVJSVIPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrN2/c1-4-14(3)10-17(9-8-16-14)13-7-5-6-12(15)11(13)2/h5-7,16H,4,8-10H2,1-3H3.
What are the key properties of 1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine?
1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine has a molecular weight of 297.24 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-methylphenyl)-3-ethyl-3-methylpiperazine is sourced from PubChem (CID 107639895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).