1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine

C16H25BrN2 — CID 64934365

IUPAC1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1cc(Br)ccc1C
InChIInChI=1S/C16H25BrN2/c1-5-14-10-18-16(4,6-2)11-19(14)15-9-13(17)8-7-12(15)3/h7-9,14,18H,5-6,10-11H2,1-4H3
InChIKeyHDNBXEPTEHAENJ-UHFFFAOYSA-N
MW325.29 g/mol
LogP4.11
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine

1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine (PubChem CID 64934365) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine
PubChem CID64934365
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC Name1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine
SMILESCCC1CNC(C)(CC)CN1c1cc(Br)ccc1C
InChIInChI=1S/C16H25BrN2/c1-5-14-10-18-16(4,6-2)11-19(14)15-9-13(17)8-7-12(15)3/h7-9,14,18H,5-6,10-11H2,1-4H3
InChIKeyHDNBXEPTEHAENJ-UHFFFAOYSA-N
XLogP4.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromophenyl)-2,5-diethyl-5-methylpiperazine
CID 64933819
2,5-diethyl-1-(5-fluoro-2-methylphenyl)-5-methylpiperazine
CID 64931265
1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64933605
1-(4-bromo-3,5-dimethylphenyl)-2,5-diethyl-5-methylpiperazine
CID 107579892
1-(2-bromo-4-fluorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64933561
1-(2,5-dichlorophenyl)-2,5-diethyl-5-methylpiperazine
CID 64935058
2,5-diethyl-1-(2-fluorophenyl)-5-methylpiperazine
CID 64932869
1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine
CID 64940782
1-(4-chloro-2-iodophenyl)-2,5-diethyl-5-methylpiperazine
CID 107640012
1-(3-bromo-4-methylphenyl)-5-ethyl-2,5-dimethylpiperazine
CID 64940819
2,5-diethyl-1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperazine
CID 105375725
2,5-diethyl-5-methyl-1-thiophen-3-ylpiperazine
CID 66355426

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine (CID 64934365) is 1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine is CCC1CNC(C)(CC)CN1c1cc(Br)ccc1C.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine?
The InChIKey is HDNBXEPTEHAENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-5-14-10-18-16(4,6-2)11-19(14)15-9-13(17)8-7-12(15)3/h7-9,14,18H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine?
1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine has a molecular weight of 325.29 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2,5-diethyl-5-methylpiperazine is sourced from PubChem (CID 64934365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).