1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine

C15H16BrClN2S — CID 63464192

IUPAC1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(Cc3sccc3Br)CC2)cc1
InChIInChI=1S/C15H16BrClN2S/c16-14-5-10-20-15(14)11-18-6-8-19(9-7-18)13-3-1-12(17)2-4-13/h1-5,10H,6-9,11H2
InChIKeyRUALAUCCWNVBHF-UHFFFAOYSA-N
MW371.73 g/mol
LogP4.49
Rot. Bonds3

About 1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine

1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine (PubChem CID 63464192) has the molecular formula C15H16BrClN2S and a molecular weight of 371.73 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine
PubChem CID63464192
Molecular FormulaC15H16BrClN2S
Molecular Weight371.73 g/mol
Exact Mass369.99
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine
SMILESClc1ccc(N2CCN(Cc3sccc3Br)CC2)cc1
InChIInChI=1S/C15H16BrClN2S/c16-14-5-10-20-15(14)11-18-6-8-19(9-7-18)13-3-1-12(17)2-4-13/h1-5,10H,6-9,11H2
InChIKeyRUALAUCCWNVBHF-UHFFFAOYSA-N
XLogP4.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.73
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 60790381
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]phenol
CID 36839442
1-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine
CID 764693
[5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]furan-2-yl]methanamine
CID 62419652
1-(2-chloroethyl)-4-(4-chlorophenyl)piperazine;dihydrochloride
CID 11461707
1-(4-chlorophenyl)-4-(2-methylthiophen-3-yl)piperazine
CID 150322937
3-[1-[(3-bromothiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79736578
2-chloro-5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]pyrazine
CID 103054050
3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]phenol
CID 2838458
4-[(3-bromothiophen-2-yl)methyl]morpholine;(3-bromothiophen-2-yl)-morpholin-4-ylmethanone
CID 161198104
1-(4-chlorophenyl)-4-[(2-nitrophenyl)methyl]piperazine
CID 785844
[5-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]furan-3-yl]methanamine
CID 62417337

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine (CID 63464192) is 1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine is Clc1ccc(N2CCN(Cc3sccc3Br)CC2)cc1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine?
The InChIKey is RUALAUCCWNVBHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN2S/c16-14-5-10-20-15(14)11-18-6-8-19(9-7-18)13-3-1-12(17)2-4-13/h1-5,10H,6-9,11H2.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine?
1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine has a molecular weight of 371.73 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-4-(4-chlorophenyl)piperazine is sourced from PubChem (CID 63464192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).