1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine

C18H21BrN2O — CID 3836641

IUPAC1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine
SMILESCOc1cccc(C(c2ccc(Br)cc2)N2CCNCC2)c1
InChIInChI=1S/C18H21BrN2O/c1-22-17-4-2-3-15(13-17)18(21-11-9-20-10-12-21)14-5-7-16(19)8-6-14/h2-8,13,18,20H,9-12H2,1H3
InChIKeyRWLPYMJZMVZOMP-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.45
Rot. Bonds4

About 1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine

1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine (PubChem CID 3836641) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine
PubChem CID3836641
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine
SMILESCOc1cccc(C(c2ccc(Br)cc2)N2CCNCC2)c1
InChIInChI=1S/C18H21BrN2O/c1-22-17-4-2-3-15(13-17)18(21-11-9-20-10-12-21)14-5-7-16(19)8-6-14/h2-8,13,18,20H,9-12H2,1H3
InChIKeyRWLPYMJZMVZOMP-UHFFFAOYSA-N
XLogP3.45
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-methoxyphenyl)-(3-phenoxyphenyl)methyl]piperazine
CID 3878375
1-[(4-bromophenyl)-(3-phenoxyphenyl)methyl]-1,4-diazepane
CID 3745740
1-[(3-ethoxyphenyl)-(4-methoxyphenyl)methyl]piperazine
CID 3289491
1-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazine
CID 7047760
1-[(3-methoxyphenyl)-(3-methylphenyl)methyl]-1,4-diazepane
CID 3847657
(3-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939833
1-[(4-bromophenyl)-(2,5-dimethoxyphenyl)methyl]-1,4-diazepane
CID 4264818
1-[(4-bromophenyl)-(3-phenylmethoxyphenyl)methyl]-1,4-diazepane
CID 3759921
1-[bis(3-bromophenyl)methyl]piperazine
CID 3761882
1-[(4-bromophenyl)-(2,3-dimethoxyphenyl)methyl]piperazine
CID 3834286
1-[(3-methoxyphenyl)-[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3776239
1-[(3-methoxyphenyl)-(5-methyl-2-pyridinyl)methyl]piperazine
CID 4023564

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine (CID 3836641) is 1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine is COc1cccc(C(c2ccc(Br)cc2)N2CCNCC2)c1.
What is the InChIKey of 1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine?
The InChIKey is RWLPYMJZMVZOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-22-17-4-2-3-15(13-17)18(21-11-9-20-10-12-21)14-5-7-16(19)8-6-14/h2-8,13,18,20H,9-12H2,1H3.
What are the key properties of 1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine?
1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine has a molecular weight of 361.28 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)-(3-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 3836641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).