1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine

C20H25BrN2O — CID 3809899

IUPAC1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine
SMILESCOc1ccc(Br)cc1C(c1cc(C)cc(C)c1)N1CCNCC1
InChIInChI=1S/C20H25BrN2O/c1-14-10-15(2)12-16(11-14)20(23-8-6-22-7-9-23)18-13-17(21)4-5-19(18)24-3/h4-5,10-13,20,22H,6-9H2,1-3H3
InChIKeyWLDUJIWOEHHRIW-UHFFFAOYSA-N
MW389.34 g/mol
LogP4.07
Rot. Bonds4

About 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine

1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine (PubChem CID 3809899) has the molecular formula C20H25BrN2O and a molecular weight of 389.34 g/mol. Its IUPAC name is 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine
PubChem CID3809899
Molecular FormulaC20H25BrN2O
Molecular Weight389.34 g/mol
Exact Mass388.12
IUPAC Name1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine
SMILESCOc1ccc(Br)cc1C(c1cc(C)cc(C)c1)N1CCNCC1
InChIInChI=1S/C20H25BrN2O/c1-14-10-15(2)12-16(11-14)20(23-8-6-22-7-9-23)18-13-17(21)4-5-19(18)24-3/h4-5,10-13,20,22H,6-9H2,1-3H3
InChIKeyWLDUJIWOEHHRIW-UHFFFAOYSA-N
XLogP4.07
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3,5-dimethylphenyl)-(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 4202298
1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 4264818
1-[(1S)-1-(5-bromo-2-methoxyphenyl)-2-fluoroethyl]piperazine
CID 171181757
1-[(5-bromo-2-ethoxyphenyl)-(2,5-dimethoxyphenyl)methyl]piperazine
CID 3428738
1-[(5-bromo-2-methoxyphenyl)-(2,3-dimethoxyphenyl)methyl]-1,4-diazepane
CID 5158278
1-[(5-bromo-2-ethoxyphenyl)-(5-chloro-2-methoxyphenyl)methyl]piperazine
CID 5125552
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-2,2,2-trifluoroethyl]piperazine;hydrochloride
CID 171178852
1-[(1S)-1-(5-bromo-2-methoxyphenyl)-3,3,3-trifluoropropyl]piperazine;hydrochloride
CID 171163473
1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3834286
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310767
1-[(5-fluoro-2-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperazine
CID 4538369
1-[(2,5-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methyl]piperazine
CID 5234749

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine?
The IUPAC name of 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine (CID 3809899) is 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine is COc1ccc(Br)cc1C(c1cc(C)cc(C)c1)N1CCNCC1.
What is the InChIKey of 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine?
The InChIKey is WLDUJIWOEHHRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25BrN2O/c1-14-10-15(2)12-16(11-14)20(23-8-6-22-7-9-23)18-13-17(21)4-5-19(18)24-3/h4-5,10-13,20,22H,6-9H2,1-3H3.
What are the key properties of 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine?
1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine has a molecular weight of 389.34 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromo-2-methoxyphenyl)-(3,5-dimethylphenyl)methyl]piperazine is sourced from PubChem (CID 3809899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).