1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine

C20H24BrClN2O2 — CID 5125552

IUPAC1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(Br)cc1C(c1cc(Cl)ccc1OC)N1CCNCC1
InChIInChI=1S/C20H24BrClN2O2/c1-3-26-19-6-4-14(21)12-16(19)20(24-10-8-23-9-11-24)17-13-15(22)5-7-18(17)25-2/h4-7,12-13,20,23H,3,8-11H2,1-2H3
InChIKeyGAWDBUDSIINNFO-UHFFFAOYSA-N
MW439.78 g/mol
LogP4.50
Rot. Bonds6

About 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine

1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine (PubChem CID 5125552) has the molecular formula C20H24BrClN2O2 and a molecular weight of 439.78 g/mol. Its IUPAC name is 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine
PubChem CID5125552
Molecular FormulaC20H24BrClN2O2
Molecular Weight439.78 g/mol
Exact Mass438.07
IUPAC Name1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine
SMILESCCOc1ccc(Br)cc1C(c1cc(Cl)ccc1OC)N1CCNCC1
InChIInChI=1S/C20H24BrClN2O2/c1-3-26-19-6-4-14(21)12-16(19)20(24-10-8-23-9-11-24)17-13-15(22)5-7-18(17)25-2/h4-7,12-13,20,23H,3,8-11H2,1-2H3
InChIKeyGAWDBUDSIINNFO-UHFFFAOYSA-N
XLogP4.50
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.78
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3374485
1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3428738
1-[(5-chloro-2-ethoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 3740741
1-[(3-bromophenyl)-(5-chloro-2-ethoxyphenyl)methyl]-1,4-diazepane
CID 3798874
1-[(5-chloro-2-ethoxyphenyl)-(4-fluorophenyl)methyl]piperazine
CID 3748492
1-[(5-chloro-2-methoxyphenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3847028
1-(5-chloro-2-ethoxyphenyl)-2-piperazin-1-ylpropan-1-ol
CID 82263354
1-[(5-bromo-2-ethoxyphenyl)-(5-bromothiophen-2-yl)methyl]piperazine
CID 4689029
1-[(1S)-1-(5-chloro-2-methoxyphenyl)ethyl]piperazine
CID 92754399
1-[(3-chlorophenyl)-(4-ethoxy-3-methoxyphenyl)methyl]piperazine
CID 4618691
1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine
CID 3809899
1-[(5-chloro-2-methoxyphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 5134406

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine (CID 5125552) is 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine is CCOc1ccc(Br)cc1C(c1cc(Cl)ccc1OC)N1CCNCC1.
What is the InChIKey of 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine?
The InChIKey is GAWDBUDSIINNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrClN2O2/c1-3-26-19-6-4-14(21)12-16(19)20(24-10-8-23-9-11-24)17-13-15(22)5-7-18(17)25-2/h4-7,12-13,20,23H,3,8-11H2,1-2H3.
What are the key properties of 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine?
1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine has a molecular weight of 439.78 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 5125552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).