1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine

C15H16BrClN2O — CID 1067888

IUPAC1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(Cc3ccc(Br)o3)CC2)cc1
InChIInChI=1S/C15H16BrClN2O/c16-15-6-5-14(20-15)11-18-7-9-19(10-8-18)13-3-1-12(17)2-4-13/h1-6H,7-11H2
InChIKeyZPVOJBNNZLIFED-UHFFFAOYSA-N
MW355.66 g/mol
LogP4.02
Rot. Bonds3

About 1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine

1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine (PubChem CID 1067888) has the molecular formula C15H16BrClN2O and a molecular weight of 355.66 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine
PubChem CID1067888
Molecular FormulaC15H16BrClN2O
Molecular Weight355.66 g/mol
Exact Mass354.01
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(Cc3ccc(Br)o3)CC2)cc1
InChIInChI=1S/C15H16BrClN2O/c16-15-6-5-14(20-15)11-18-7-9-19(10-8-18)13-3-1-12(17)2-4-13/h1-6H,7-11H2
InChIKeyZPVOJBNNZLIFED-UHFFFAOYSA-N
XLogP4.02
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.66
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide
CID 44224261
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-5-bromofuran-2-carboxamide
CID 17027307
5-bromo-N-[3-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-2-furamide
CID 979869
Piperazine amide, 6a
CID 25210489
5-bromo-N-[3-chloro-2-(4-methyl-1-piperazinyl)phenyl]-2-furamide
CID 42537838
Piperazine amide, 4c
CID 44236944
Piperazine amide, 4f
CID 44236946
Piperazine amide, 4h
CID 44236947
1-(4-Chlorophenyl)-4-[(5-nitro-2-furyl)methyl]piperazine
CID 754268
1-(4-Chlorophenyl)-4-(2-furylmethyl)piperazine
CID 764185
1-[(5-Bromo-2-furyl)methyl]-4-(2-methylphenyl)piperazine
CID 796777
1-(2-Chlorophenyl)-4-[(5-methyl-2-furyl)methyl]piperazine
CID 23723071

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine (CID 1067888) is 1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine is Clc1ccc(N2CCN(Cc3ccc(Br)o3)CC2)cc1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine?
The InChIKey is ZPVOJBNNZLIFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2O/c16-15-6-5-14(20-15)11-18-7-9-19(10-8-18)13-3-1-12(17)2-4-13/h1-6H,7-11H2.
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine?
1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine has a molecular weight of 355.66 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-4-(4-chlorophenyl)piperazine is sourced from PubChem (CID 1067888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).