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

C17H18BrFN2 — CID 764880

IUPAC1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C17H18BrFN2/c18-15-3-1-2-14(12-15)13-20-8-10-21(11-9-20)17-6-4-16(19)5-7-17/h1-7,12H,8-11,13H2
InChIKeyYYKZWDOVFIIHSY-UHFFFAOYSA-N
MW349.25 g/mol
LogP3.91
Rot. Bonds3

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

1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine (PubChem CID 764880) has the molecular formula C17H18BrFN2 and a molecular weight of 349.25 g/mol. Its IUPAC name is 1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine
PubChem CID764880
Molecular FormulaC17H18BrFN2
Molecular Weight349.25 g/mol
Exact Mass348.06
IUPAC Name1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine
SMILESFc1ccc(N2CCN(Cc3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C17H18BrFN2/c18-15-3-1-2-14(12-15)13-20-8-10-21(11-9-20)17-6-4-16(19)5-7-17/h1-7,12H,8-11,13H2
InChIKeyYYKZWDOVFIIHSY-UHFFFAOYSA-N
XLogP3.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.25
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Piperazine, 1-phenethyl-4-phenyl-
CID 120540
1-Benzyl-4-phenylpiperazine
CID 511484
1-Phenyl-4-(3-phenylpropyl)piperazine
CID 743379
1-Phenyl-4-(4-phenyl-butyl)-piperazine
CID 15723883
N-(3-bromophenyl)-1-phenethyl-piperidin-4-amine
CID 52934003
n,n-Dibenzyl-4-bromoaniline
CID 285423
Cambridge id 5267164
CID 1377211
(Z)-2-(2-bromophenyl)-3-[4-(4-methylpiperazin-1-yl)phenyl]prop-2-enenitrile
CID 57342889
1-(2-Fluorophenyl)-4-(3-phenylpropyl)piperazine
CID 782827
1-(Cyclohexylmethyl)-4-(2-fluorophenyl)piperazine
CID 782937
1-Benzyl-4-(4-fluorophenyl)piperazine
CID 763199
1-(4-Fluorophenyl)-4-(2-phenylethyl)piperazine
CID 3798589

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine (CID 764880) is 1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine is Fc1ccc(N2CCN(Cc3cccc(Br)c3)CC2)cc1.
What is the InChIKey of 1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is YYKZWDOVFIIHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2/c18-15-3-1-2-14(12-15)13-20-8-10-21(11-9-20)17-6-4-16(19)5-7-17/h1-7,12H,8-11,13H2.
What are the key properties of 1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine?
1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 349.25 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromophenyl)methyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 764880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).