1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine

C17H26BrClN2 — CID 64942138

IUPAC1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(c2cc(Br)ccc2Cl)C(C(C)C)CN1
InChIInChI=1S/C17H26BrClN2/c1-5-17(6-2)11-21(16(10-20-17)12(3)4)15-9-13(18)7-8-14(15)19/h7-9,12,16,20H,5-6,10-11H2,1-4H3
InChIKeyKBLBJYUCXFKJLX-UHFFFAOYSA-N
MW373.77 g/mol
LogP5.10
Rot. Bonds4

About 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine

1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine (PubChem CID 64942138) has the molecular formula C17H26BrClN2 and a molecular weight of 373.77 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
PubChem CID64942138
Molecular FormulaC17H26BrClN2
Molecular Weight373.77 g/mol
Exact Mass372.10
IUPAC Name1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
SMILESCCC1(CC)CN(c2cc(Br)ccc2Cl)C(C(C)C)CN1
InChIInChI=1S/C17H26BrClN2/c1-5-17(6-2)11-21(16(10-20-17)12(3)4)15-9-13(18)7-8-14(15)19/h7-9,12,16,20H,5-6,10-11H2,1-4H3
InChIKeyKBLBJYUCXFKJLX-UHFFFAOYSA-N
XLogP5.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.77
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine
CID 64941560
1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine
CID 64940782
1-(3,4-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64933707
1-(3,5-dichlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64934872
1-(5-bromo-2-methylphenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 64933605
1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64939430
1-(5-bromo-2-chlorophenyl)-2,5-di(propan-2-yl)piperazine
CID 64937611
1-(2-chloro-6-methylphenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 66255685
1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine
CID 64934480
5,5-diethyl-1-(4-ethylphenyl)-2-propan-2-ylpiperazine
CID 64931417
1-(2,4-dibromophenyl)-5,5-dimethyl-2-propan-2-ylpiperazine
CID 64946247
1-(2-bromo-3-chlorophenyl)-5-ethyl-5-methyl-2-propan-2-ylpiperazine
CID 103481721

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine (CID 64942138) is 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine is CCC1(CC)CN(c2cc(Br)ccc2Cl)C(C(C)C)CN1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
The InChIKey is KBLBJYUCXFKJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrClN2/c1-5-17(6-2)11-21(16(10-20-17)12(3)4)15-9-13(18)7-8-14(15)19/h7-9,12,16,20H,5-6,10-11H2,1-4H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine?
1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine has a molecular weight of 373.77 g/mol, XLogP of 5.10, 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)-5,5-diethyl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64942138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).