1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine

C18H21BrN2 — CID 3900303

IUPAC1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1C(c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C18H21BrN2/c1-14-6-2-3-7-15(14)18(21-12-10-20-11-13-21)16-8-4-5-9-17(16)19/h2-9,18,20H,10-13H2,1H3
InChIKeyRJZLVICNWMWIQO-UHFFFAOYSA-N
MW345.28 g/mol
LogP3.75
Rot. Bonds3

About 1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine

1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine (PubChem CID 3900303) has the molecular formula C18H21BrN2 and a molecular weight of 345.28 g/mol. Its IUPAC name is 1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine
PubChem CID3900303
Molecular FormulaC18H21BrN2
Molecular Weight345.28 g/mol
Exact Mass344.09
IUPAC Name1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine
SMILESCc1ccccc1C(c1ccccc1Br)N1CCNCC1
InChIInChI=1S/C18H21BrN2/c1-14-6-2-3-7-15(14)18(21-12-10-20-11-13-21)16-8-4-5-9-17(16)19/h2-9,18,20H,10-13H2,1H3
InChIKeyRJZLVICNWMWIQO-UHFFFAOYSA-N
XLogP3.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[bis(2-bromophenyl)methyl]-1,4-diazepane
CID 4295323
1-[(2-bromophenyl)-(2-ethoxyphenyl)methyl]piperazine
CID 3742579
1-[(2-bromo-4,5-dimethoxyphenyl)-(2-methylphenyl)methyl]-1,4-diazepane
CID 3824077
1-[(2-bromophenyl)-(2-chlorophenyl)methyl]-1,4-diazepane
CID 3773387
1-[1-benzothiophen-3-yl-(2-bromophenyl)methyl]piperazine
CID 3947459
1-[(2-methylphenyl)-naphthalen-1-ylmethyl]-1,4-diazepane
CID 3657426
1-[(2-methylphenyl)-(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane
CID 4201930
1-[(1S)-1-(2-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171280303
1-[(2-ethoxyphenyl)-(2-methylphenyl)methyl]-1,4-diazepane
CID 3742611
1-[(2-bromophenyl)-[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 3826485
1-[(2-bromophenyl)-(2,4-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3490266
1-[(2,4-difluorophenyl)-(2-methylphenyl)methyl]-1,4-diazepane
CID 3761788

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine?
The IUPAC name of 1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine (CID 3900303) is 1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine.
What is the SMILES notation for 1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine?
The canonical SMILES for 1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine is Cc1ccccc1C(c1ccccc1Br)N1CCNCC1.
What is the InChIKey of 1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine?
The InChIKey is RJZLVICNWMWIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2/c1-14-6-2-3-7-15(14)18(21-12-10-20-11-13-21)16-8-4-5-9-17(16)19/h2-9,18,20H,10-13H2,1H3.
What are the key properties of 1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine?
1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine has a molecular weight of 345.28 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromophenyl)-(2-methylphenyl)methyl]piperazine is sourced from PubChem (CID 3900303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).