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

C18H19BrClFN2 — CID 22195385

IUPAC1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1Cl
InChIInChI=1S/C18H19BrClFN2/c19-16-4-1-14(2-5-16)12-22-7-9-23(10-8-22)13-15-3-6-18(21)17(20)11-15/h1-6,11H,7-10,12-13H2
InChIKeyXBVSXQWNYLTZRP-UHFFFAOYSA-N
MW397.72 g/mol
LogP4.56
Rot. Bonds4

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

1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine (PubChem CID 22195385) has the molecular formula C18H19BrClFN2 and a molecular weight of 397.72 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
PubChem CID22195385
Molecular FormulaC18H19BrClFN2
Molecular Weight397.72 g/mol
Exact Mass396.04
IUPAC Name1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine
SMILESFc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1Cl
InChIInChI=1S/C18H19BrClFN2/c19-16-4-1-14(2-5-16)12-22-7-9-23(10-8-22)13-15-3-6-18(21)17(20)11-15/h1-6,11H,7-10,12-13H2
InChIKeyXBVSXQWNYLTZRP-UHFFFAOYSA-N
XLogP4.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.72
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzyl-4-(3-chlorobenzyl)piperazine
CID 765219
1-[(4-Bromophenyl)(4-chlorophenyl)methyl]piperazine
CID 5171490
1-[(4-Bromophenyl)-(4-chlorophenyl)methyl]-4-ethylpiperazine
CID 118109247
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(4-fluorophenyl)cyclobutyl]piperidin-4-amine
CID 166627229
N-[(4-bromo-3-chlorophenyl)methyl]-N-(2-phenylethyl)piperidin-4-amine
CID 166635652
(E)-3-(4-bromophenyl)-1-[4-[(4-chloro-2-fluorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 73330419
N-[(4-bromo-3-chlorophenyl)methyl]-N-[3-(3-fluorophenyl)cyclobutyl]piperidin-4-amine
CID 166632942
1-[(2-Chlorophenyl)methyl]-4-[(3-fluorophenyl)methyl]piperazine
CID 876730
1-(4-Bromobenzyl)-4-[4-(trifluoromethyl)benzyl]piperazine
CID 1222693
1-Benzyl-4-(2-chloro-6-fluorobenzyl)piperazine
CID 756921
1-(2-Chloro-6-fluorobenzyl)-4-(3-phenyl-2-propen-1-yl)piperazine
CID 783743
1-[(4-Chlorophenyl)methyl]-4-[(2-fluorophenyl)methyl]piperazine
CID 876768

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine?
The IUPAC name of 1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine (CID 22195385) is 1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine.
What is the SMILES notation for 1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine?
The canonical SMILES for 1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine is Fc1ccc(CN2CCN(Cc3ccc(Br)cc3)CC2)cc1Cl.
What is the InChIKey of 1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine?
The InChIKey is XBVSXQWNYLTZRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrClFN2/c19-16-4-1-14(2-5-16)12-22-7-9-23(10-8-22)13-15-3-6-18(21)17(20)11-15/h1-6,11H,7-10,12-13H2.
What are the key properties of 1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine?
1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine has a molecular weight of 397.72 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methyl]-4-[(3-chloro-4-fluorophenyl)methyl]piperazine is sourced from PubChem (CID 22195385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).