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

C15H22BrClN2 — CID 64941560

IUPAC1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(c2cc(Br)ccc2Cl)C(C)CN1
InChIInChI=1S/C15H22BrClN2/c1-4-15(5-2)10-19(11(3)9-18-15)14-8-12(16)6-7-13(14)17/h6-8,11,18H,4-5,9-10H2,1-3H3
InChIKeyPGOQWSIINMSSLH-UHFFFAOYSA-N
MW345.71 g/mol
LogP4.46
Rot. Bonds3

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

1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine (PubChem CID 64941560) has the molecular formula C15H22BrClN2 and a molecular weight of 345.71 g/mol. Its IUPAC name is 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine.

Molecular Properties

Compound Name1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine
PubChem CID64941560
Molecular FormulaC15H22BrClN2
Molecular Weight345.71 g/mol
Exact Mass344.07
IUPAC Name1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine
SMILESCCC1(CC)CN(c2cc(Br)ccc2Cl)C(C)CN1
InChIInChI=1S/C15H22BrClN2/c1-4-15(5-2)10-19(11(3)9-18-15)14-8-12(16)6-7-13(14)17/h6-8,11,18H,4-5,9-10H2,1-3H3
InChIKeyPGOQWSIINMSSLH-UHFFFAOYSA-N
XLogP4.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.71
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-chlorophenyl)-2,5,5-triethylpiperazine
CID 64940782
1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-propan-2-ylpiperazine
CID 64942138
1-(2,5-dichlorophenyl)-2,5,5-triethylpiperazine
CID 64934480
9-(4-bromo-2-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64935889
5,5-diethyl-1-(3-fluoro-2-methylphenyl)-2-methylpiperazine
CID 64946713
1-(2-ethoxyphenyl)-5,5-diethyl-2-methylpiperazine
CID 64931392
5,5-diethyl-2-methyl-1-(5,6,7,8-tetrahydronaphthalen-1-yl)piperazine
CID 64931196
1-(4-bromo-2-chlorophenyl)-3,3-diethylpiperazine
CID 64925092
5,5-diethyl-2-methyl-1-thiophen-3-ylpiperazine
CID 66353525
5,5-diethyl-1-[3-(methoxymethyl)phenyl]-2-methylpiperazine
CID 64947033
5,5-diethyl-2-methyl-1-(3-methylsulfanylphenyl)piperazine
CID 64934290
4-(2,4-dibromophenyl)-3-methyl-1,4-diazaspiro[5.5]undecane
CID 64946246

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine?
The IUPAC name of 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine (CID 64941560) is 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine.
What is the SMILES notation for 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine?
The canonical SMILES for 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine is CCC1(CC)CN(c2cc(Br)ccc2Cl)C(C)CN1.
What is the InChIKey of 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine?
The InChIKey is PGOQWSIINMSSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrClN2/c1-4-15(5-2)10-19(11(3)9-18-15)14-8-12(16)6-7-13(14)17/h6-8,11,18H,4-5,9-10H2,1-3H3.
What are the key properties of 1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine?
1-(5-bromo-2-chlorophenyl)-5,5-diethyl-2-methylpiperazine has a molecular weight of 345.71 g/mol, XLogP of 4.46, 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-chlorophenyl)-5,5-diethyl-2-methylpiperazine is sourced from PubChem (CID 64941560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).