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

C17H17BrF2N2 — CID 174687626

IUPAC1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(c3ccc(Br)c(F)c3)CC2)cc1
InChIInChI=1S/C17H17BrF2N2/c18-16-6-5-15(11-17(16)20)22-9-7-21(8-10-22)12-13-1-3-14(19)4-2-13/h1-6,11H,7-10,12H2
InChIKeyAVEPGQJUOBTHIA-UHFFFAOYSA-N
MW367.24 g/mol
LogP4.05
Rot. Bonds3

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

1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine (PubChem CID 174687626) has the molecular formula C17H17BrF2N2 and a molecular weight of 367.24 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
PubChem CID174687626
Molecular FormulaC17H17BrF2N2
Molecular Weight367.24 g/mol
Exact Mass366.05
IUPAC Name1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(c3ccc(Br)c(F)c3)CC2)cc1
InChIInChI=1S/C17H17BrF2N2/c18-16-6-5-15(11-17(16)20)22-9-7-21(8-10-22)12-13-1-3-14(19)4-2-13/h1-6,11H,7-10,12H2
InChIKeyAVEPGQJUOBTHIA-UHFFFAOYSA-N
XLogP4.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-4-[(4-fluorophenyl)methyl]-1,4-diazepane
CID 87015648
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-(3-chlorophenyl)-4-[(4-fluorophenyl)methyl]piperazine
CID 763195
1-[(3,5-dimethylphenyl)methyl]-4-(4-fluorophenyl)piperazine
CID 174368347
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
4-(4-benzylpiperazin-1-yl)-2-fluorophenol
CID 46737218
2-[4-[[4-(4-fluorophenyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamine;dihydrochloride
CID 154892833
2-bromo-N-[[4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]phenyl]methyl]acetamide
CID 139912851
1-[(4-fluorophenyl)methyl]pyrrolidine
CID 10631195
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
1-benzyl-4-(2,4-difluorophenyl)piperazine
CID 110454865
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine (CID 174687626) is 1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine is Fc1ccc(CN2CCN(c3ccc(Br)c(F)c3)CC2)cc1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine?
The InChIKey is AVEPGQJUOBTHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF2N2/c18-16-6-5-15(11-17(16)20)22-9-7-21(8-10-22)12-13-1-3-14(19)4-2-13/h1-6,11H,7-10,12H2.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine?
1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine has a molecular weight of 367.24 g/mol, XLogP of 4.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-4-[(4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 174687626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).