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

C16H19BrN2OS — CID 1375734

IUPAC1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3cc(Br)cs3)CC2)c1
InChIInChI=1S/C16H19BrN2OS/c1-20-15-4-2-3-14(10-15)19-7-5-18(6-8-19)11-16-9-13(17)12-21-16/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyPQMRYBKWZYQGNR-UHFFFAOYSA-N
MW367.31 g/mol
LogP3.84
Rot. Bonds4

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

1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine (PubChem CID 1375734) has the molecular formula C16H19BrN2OS and a molecular weight of 367.31 g/mol. Its IUPAC name is 1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine
PubChem CID1375734
Molecular FormulaC16H19BrN2OS
Molecular Weight367.31 g/mol
Exact Mass366.04
IUPAC Name1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3cc(Br)cs3)CC2)c1
InChIInChI=1S/C16H19BrN2OS/c1-20-15-4-2-3-14(10-15)19-7-5-18(6-8-19)11-16-9-13(17)12-21-16/h2-4,9-10,12H,5-8,11H2,1H3
InChIKeyPQMRYBKWZYQGNR-UHFFFAOYSA-N
XLogP3.84
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenyl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 22199424
(4-bromothiophen-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 17173770
4-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-2-(4-methylphenyl)-1,3-thiazole
CID 22199471
1-(3-methoxyphenyl)-4-(oxiran-2-ylmethyl)piperazine
CID 10243741
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 56819748
1-(1,3-benzodioxol-4-ylmethyl)-4-(3-methoxyphenyl)piperazine
CID 4992251
1-(3-methoxyphenyl)-4-[(3-nitrophenyl)methyl]piperazine
CID 782292
1-(2-chloroethyl)-4-(3-methoxyphenyl)piperazine;dihydrochloride
CID 11427409
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 38125111
1-iodo-4-(3-methoxyphenyl)piperazine
CID 142256394
[4-(3-methoxyphenyl)piperazin-1-yl]methanesulfinate
CID 174627257

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine (CID 1375734) is 1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(Cc3cc(Br)cs3)CC2)c1.
What is the InChIKey of 1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine?
The InChIKey is PQMRYBKWZYQGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2OS/c1-20-15-4-2-3-14(10-15)19-7-5-18(6-8-19)11-16-9-13(17)12-21-16/h2-4,9-10,12H,5-8,11H2,1H3.
What are the key properties of 1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine?
1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine has a molecular weight of 367.31 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromothiophen-2-yl)methyl]-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 1375734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).