1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine

C15H23BrN2 — CID 64940819

IUPAC1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2ccc(C)c(Br)c2)C(C)CN1
InChIInChI=1S/C15H23BrN2/c1-5-15(4)10-18(12(3)9-17-15)13-7-6-11(2)14(16)8-13/h6-8,12,17H,5,9-10H2,1-4H3
InChIKeyQPXNQTMULIPXKQ-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.72
Rot. Bonds2

About 1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine

1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine (PubChem CID 64940819) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine
PubChem CID64940819
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine
SMILESCCC1(C)CN(c2ccc(C)c(Br)c2)C(C)CN1
InChIInChI=1S/C15H23BrN2/c1-5-15(4)10-18(12(3)9-17-15)13-7-6-11(2)14(16)8-13/h6-8,12,17H,5,9-10H2,1-4H3
InChIKeyQPXNQTMULIPXKQ-UHFFFAOYSA-N
XLogP3.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine (CID 64940819) is 1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine is CCC1(C)CN(c2ccc(C)c(Br)c2)C(C)CN1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine?
The InChIKey is QPXNQTMULIPXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-5-15(4)10-18(12(3)9-17-15)13-7-6-11(2)14(16)8-13/h6-8,12,17H,5,9-10H2,1-4H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine?
1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine has a molecular weight of 311.27 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine is sourced from PubChem (CID 64940819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).