1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine

C16H24BrClN2 — CID 64940782

IUPAC1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine
SMILESCCC1CNC(CC)(CC)CN1c1cc(Br)ccc1Cl
InChIInChI=1S/C16H24BrClN2/c1-4-13-10-19-16(5-2,6-3)11-20(13)15-9-12(17)7-8-14(15)18/h7-9,13,19H,4-6,10-11H2,1-3H3
InChIKeyOSLDTJHQSUQGSW-UHFFFAOYSA-N
MW359.74 g/mol
LogP4.85
Rot. Bonds4

About 1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine

1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine (PubChem CID 64940782) has the molecular formula C16H24BrClN2 and a molecular weight of 359.74 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine
PubChem CID64940782
Molecular FormulaC16H24BrClN2
Molecular Weight359.74 g/mol
Exact Mass358.08
IUPAC Name1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine
SMILESCCC1CNC(CC)(CC)CN1c1cc(Br)ccc1Cl
InChIInChI=1S/C16H24BrClN2/c1-4-13-10-19-16(5-2,6-3)11-20(13)15-9-12(17)7-8-14(15)18/h7-9,13,19H,4-6,10-11H2,1-3H3
InChIKeyOSLDTJHQSUQGSW-UHFFFAOYSA-N
XLogP4.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.74
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine (CID 64940782) is 1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine is CCC1CNC(CC)(CC)CN1c1cc(Br)ccc1Cl.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine?
The InChIKey is OSLDTJHQSUQGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrClN2/c1-4-13-10-19-16(5-2,6-3)11-20(13)15-9-12(17)7-8-14(15)18/h7-9,13,19H,4-6,10-11H2,1-3H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine?
1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine has a molecular weight of 359.74 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine is sourced from PubChem (CID 64940782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).