1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine

C19H22BrClN2O2 — CID 4738644

IUPAC1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine
SMILESCOc1cc(C(c2ccccc2Cl)N2CCNCC2)c(OC)cc1Br
InChIInChI=1S/C19H22BrClN2O2/c1-24-17-12-15(20)18(25-2)11-14(17)19(23-9-7-22-8-10-23)13-5-3-4-6-16(13)21/h3-6,11-12,19,22H,7-10H2,1-2H3
InChIKeyPLKUCLXYDCLDCD-UHFFFAOYSA-N
MW425.75 g/mol
LogP4.11
Rot. Bonds5

About 1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine

1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine (PubChem CID 4738644) has the molecular formula C19H22BrClN2O2 and a molecular weight of 425.75 g/mol. Its IUPAC name is 1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine
PubChem CID4738644
Molecular FormulaC19H22BrClN2O2
Molecular Weight425.75 g/mol
Exact Mass424.06
IUPAC Name1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine
SMILESCOc1cc(C(c2ccccc2Cl)N2CCNCC2)c(OC)cc1Br
InChIInChI=1S/C19H22BrClN2O2/c1-24-17-12-15(20)18(25-2)11-14(17)19(23-9-7-22-8-10-23)13-5-3-4-6-16(13)21/h3-6,11-12,19,22H,7-10H2,1-2H3
InChIKeyPLKUCLXYDCLDCD-UHFFFAOYSA-N
XLogP4.11
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.75
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-bromo-2,5-dimethoxyphenyl)-(2,4-dichlorophenyl)methyl]piperazine
CID 4738646
1-[(2-bromophenyl)-(2-chlorophenyl)methyl]-1,4-diazepane
CID 3773387
1-[(2,3-dichlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3503340
1-[bis(2-methoxyphenyl)methyl]piperazine
CID 5183937
1-[(2-bromo-4,5-dimethoxyphenyl)-(2-methylphenyl)methyl]-1,4-diazepane
CID 3824077
1-[(1S)-1-(4-bromo-2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171283147
1-[(2-chlorophenyl)-(3,4-dimethylphenyl)methyl]piperazine
CID 4738612
1-[(2,3-dichlorophenyl)-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3600926
1-[(2-methylphenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4201930
1-[(2-bromophenyl)-(2,4-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3490266
1-[(3,4-dichlorophenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 3504603
1-[(S)-(4-bromo-2,5-dimethoxyphenyl)-cyclopropylmethyl]piperazine;dihydrochloride
CID 171283159

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine?
The IUPAC name of 1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine (CID 4738644) is 1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine is COc1cc(C(c2ccccc2Cl)N2CCNCC2)c(OC)cc1Br.
What is the InChIKey of 1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine?
The InChIKey is PLKUCLXYDCLDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrClN2O2/c1-24-17-12-15(20)18(25-2)11-14(17)19(23-9-7-22-8-10-23)13-5-3-4-6-16(13)21/h3-6,11-12,19,22H,7-10H2,1-2H3.
What are the key properties of 1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine?
1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine has a molecular weight of 425.75 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2,5-dimethoxyphenyl)-(2-chlorophenyl)methyl]piperazine is sourced from PubChem (CID 4738644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).