1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine

C18H19Br2FN2 — CID 171701593

IUPAC1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
SMILESFc1c(Br)cccc1CN1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C18H19Br2FN2/c19-16-6-2-1-4-14(16)12-22-8-10-23(11-9-22)13-15-5-3-7-17(20)18(15)21/h1-7H,8-13H2
InChIKeyLYBQZTTXAUUFDI-UHFFFAOYSA-N
MW442.17 g/mol
LogP4.67
Rot. Bonds4

About 1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine

1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine (PubChem CID 171701593) has the molecular formula C18H19Br2FN2 and a molecular weight of 442.17 g/mol. Its IUPAC name is 1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
PubChem CID171701593
Molecular FormulaC18H19Br2FN2
Molecular Weight442.17 g/mol
Exact Mass439.99
IUPAC Name1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine
SMILESFc1c(Br)cccc1CN1CCN(Cc2ccccc2Br)CC1
InChIInChI=1S/C18H19Br2FN2/c19-16-6-2-1-4-14(16)12-22-8-10-23(11-9-22)13-15-5-3-7-17(20)18(15)21/h1-7H,8-13H2
InChIKeyLYBQZTTXAUUFDI-UHFFFAOYSA-N
XLogP4.67
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.17
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3-bromo-2-fluorophenyl)methyl]morpholine
CID 70699667
1-[(3-bromo-2-fluorophenyl)methyl]piperazine
CID 83744163
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-chloro-6-fluorophenyl)methyl]piperazine
CID 171701588
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 55023776
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 171701475
1-[(2-bromophenyl)methyl]-4-(2-chloroethyl)-1,4-diazepane
CID 55183487
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-2-methylpyrimidine
CID 171701112
1-[(2-bromophenyl)methyl]-4-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 166601534
2-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 171702418
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-methoxy-4-pyridinyl)methyl]piperazine
CID 171701507
4-[4-[(3-bromo-2-fluorophenyl)methyl]piperazin-1-yl]-6-methylpyrimidine
CID 171704326
1-[(2-bromophenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126311

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine?
The IUPAC name of 1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine (CID 171701593) is 1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine?
The canonical SMILES for 1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine is Fc1c(Br)cccc1CN1CCN(Cc2ccccc2Br)CC1.
What is the InChIKey of 1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine?
The InChIKey is LYBQZTTXAUUFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Br2FN2/c19-16-6-2-1-4-14(16)12-22-8-10-23(11-9-22)13-15-5-3-7-17(20)18(15)21/h1-7H,8-13H2.
What are the key properties of 1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine?
1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine has a molecular weight of 442.17 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromo-2-fluorophenyl)methyl]-4-[(2-bromophenyl)methyl]piperazine is sourced from PubChem (CID 171701593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).