1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine

C14H20BrClN2 — CID 64925092

IUPAC1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(c2ccc(Br)cc2Cl)CCN1
InChIInChI=1S/C14H20BrClN2/c1-3-14(4-2)10-18(8-7-17-14)13-6-5-11(15)9-12(13)16/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyYZMCEOWWWDLJLY-UHFFFAOYSA-N
MW331.69 g/mol
LogP4.07
Rot. Bonds3

About 1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine

1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine (PubChem CID 64925092) has the molecular formula C14H20BrClN2 and a molecular weight of 331.69 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine
PubChem CID64925092
Molecular FormulaC14H20BrClN2
Molecular Weight331.69 g/mol
Exact Mass330.05
IUPAC Name1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine
SMILESCCC1(CC)CN(c2ccc(Br)cc2Cl)CCN1
InChIInChI=1S/C14H20BrClN2/c1-3-14(4-2)10-18(8-7-17-14)13-6-5-11(15)9-12(13)16/h5-6,9,17H,3-4,7-8,10H2,1-2H3
InChIKeyYZMCEOWWWDLJLY-UHFFFAOYSA-N
XLogP4.07
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.69
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromophenyl)-3,3-diethylpiperazine
CID 64925479
1-(4-chlorophenyl)-3,3-diethylpiperazine
CID 64925456
1-(3-bromo-5-methylphenyl)-3,3-diethylpiperazine
CID 107580035
3,3-diethyl-1-(4-methoxy-2-methylphenyl)piperazine
CID 64952388
10-(4-bromo-2-chlorophenyl)-6,10-diazaspiro[4.6]undecane
CID 64943983
1-(5-bromo-2-chlorophenyl)-3-methyl-3-phenylpiperazine
CID 64952590
1-(2-bromo-4-fluorophenyl)-3,3-diethyl-1,4-diazepane
CID 64943785
3,3-diethyl-1-(2-methoxyphenyl)piperazine
CID 64918499
3,3-diethyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64952179
1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine
CID 64941560
1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine
CID 64940782
1-(4-bromo-2-chlorophenyl)-3-butan-2-ylpiperazine
CID 64924314

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine (CID 64925092) is 1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine is CCC1(CC)CN(c2ccc(Br)cc2Cl)CCN1.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine?
The InChIKey is YZMCEOWWWDLJLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN2/c1-3-14(4-2)10-18(8-7-17-14)13-6-5-11(15)9-12(13)16/h5-6,9,17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine?
1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine has a molecular weight of 331.69 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine is sourced from PubChem (CID 64925092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).