1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine

C16H19BrN2OS — CID 1376848

IUPAC1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C16H19BrN2OS/c1-20-15-5-3-2-4-14(15)19-10-8-18(9-11-19)12-13-6-7-16(17)21-13/h2-7H,8-12H2,1H3
InChIKeyIGPCTLTXCPFDIO-UHFFFAOYSA-N
MW367.31 g/mol
LogP3.84
Rot. Bonds4

About 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine

1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 1376848) has the molecular formula C16H19BrN2OS and a molecular weight of 367.31 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
PubChem CID1376848
Molecular FormulaC16H19BrN2OS
Molecular Weight367.31 g/mol
Exact Mass366.04
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1
InChIInChI=1S/C16H19BrN2OS/c1-20-15-5-3-2-4-14(15)19-10-8-18(9-11-19)12-13-6-7-16(17)21-13/h2-7H,8-12H2,1H3
InChIKeyIGPCTLTXCPFDIO-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

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Related Compounds

1-[(2,5-Dimethylthiophen-3-yl)sulfonyl]-4-(2-methoxyphenyl)piperazine
CID 1520541
5-Bromo-N-{2-[4-(2-methoxyphenyl)piperazin-1-YL]-2-oxoethyl}thiophene-2-sulfonamide
CID 15988692
1-(2,5-Dimethylthiophen-3-yl)-3-(4-(2-methoxyphenyl)piperazin-1-yl)propan-1-ol
CID 10570535
3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-1-(5-methyl-thiophen-2-yl)-propan-1-ol
CID 10688951
5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-thiophene-2-carbaldehyde
CID 12134994
{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-yl}-methanol
CID 12134995
1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-pyrrolidin-2-one
CID 12134996
1-{5-[4-(2-Methoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-piperidin-2-one
CID 18738387
1-[4-(2-Methoxyphenyl)piperazin-1-yl]-2-(thiophen-2-yl)ethanone
CID 670139
1-(2-Methoxyphenyl)-4-(2-thienylmethyl)piperazine
CID 763703
1-(2-Methoxyphenyl)-4-(3-thiophenylmethyl)piperazine
CID 765057
1-(2-Ethoxyphenyl)-4-(2-thienylmethyl)piperazine
CID 792460

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine (CID 1376848) is 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(Cc2ccc(Br)s2)CC1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is IGPCTLTXCPFDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2OS/c1-20-15-5-3-2-4-14(15)19-10-8-18(9-11-19)12-13-6-7-16(17)21-13/h2-7H,8-12H2,1H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine?
1-[(5-bromothiophen-2-yl)methyl]-4-(2-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-[(5-bromothiophen-2-yl)methyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 1376848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).