1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine

C15H23BrN2 — CID 107580035

IUPAC1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(c2cc(C)cc(Br)c2)CCN1
InChIInChI=1S/C15H23BrN2/c1-4-15(5-2)11-18(7-6-17-15)14-9-12(3)8-13(16)10-14/h8-10,17H,4-7,11H2,1-3H3
InChIKeySQIYQHVMHBADBH-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.73
Rot. Bonds3

About 1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine

1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine (PubChem CID 107580035) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine
PubChem CID107580035
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC Name1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(c2cc(C)cc(Br)c2)CCN1
InChIInChI=1S/C15H23BrN2/c1-4-15(5-2)11-18(7-6-17-15)14-9-12(3)8-13(16)10-14/h8-10,17H,4-7,11H2,1-3H3
InChIKeySQIYQHVMHBADBH-UHFFFAOYSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-3,3-diethylpiperazine
CID 64925611
1-(4-bromophenyl)-3,3-diethylpiperazine
CID 64925479
1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine
CID 64925092
1-(4-chlorophenyl)-3,3-diethylpiperazine
CID 64925456
3,3-diethyl-1-(3-fluorophenyl)piperazine
CID 64920188
1-(3-bromo-5-methylphenyl)-3-ethylpiperazine
CID 107580054
3,3-diethyl-1-(4-methoxy-3-methylphenyl)piperazine
CID 64926715
3,3-diethyl-1-(3-methoxyphenyl)piperazine
CID 64926809
1-(3-bromo-5-methylphenyl)pyrrolidine
CID 53216985
1-(1,3-benzodioxol-5-yl)-3,3-diethylpiperazine
CID 64924440
1-(4-butylphenyl)-3,3-diethylpiperazine
CID 64923865
1-(3-chloro-5-fluorophenyl)-3,3-diethyl-1,4-diazepane
CID 107370808

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine (CID 107580035) is 1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine is CCC1(CC)CN(c2cc(C)cc(Br)c2)CCN1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine?
The InChIKey is SQIYQHVMHBADBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-4-15(5-2)11-18(7-6-17-15)14-9-12(3)8-13(16)10-14/h8-10,17H,4-7,11H2,1-3H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine?
1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine has a molecular weight of 311.27 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine is sourced from PubChem (CID 107580035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).