1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine

C16H19BrN2S — CID 64846824

IUPAC1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine
SMILESCC1(c2ccccc2)CNCCN1Cc1ccc(Br)s1
InChIInChI=1S/C16H19BrN2S/c1-16(13-5-3-2-4-6-13)12-18-9-10-19(16)11-14-7-8-15(17)20-14/h2-8,18H,9-12H2,1H3
InChIKeyYZAPVTUZRMOVBL-UHFFFAOYSA-N
MW351.31 g/mol
LogP3.83
Rot. Bonds3

About 1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine

1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine (PubChem CID 64846824) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine
PubChem CID64846824
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine
SMILESCC1(c2ccccc2)CNCCN1Cc1ccc(Br)s1
InChIInChI=1S/C16H19BrN2S/c1-16(13-5-3-2-4-6-13)12-18-9-10-19(16)11-14-7-8-15(17)20-14/h2-8,18H,9-12H2,1H3
InChIKeyYZAPVTUZRMOVBL-UHFFFAOYSA-N
XLogP3.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine (CID 64846824) is 1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine is CC1(c2ccccc2)CNCCN1Cc1ccc(Br)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine?
The InChIKey is YZAPVTUZRMOVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c1-16(13-5-3-2-4-6-13)12-18-9-10-19(16)11-14-7-8-15(17)20-14/h2-8,18H,9-12H2,1H3.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine?
1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine has a molecular weight of 351.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-2-methyl-2-phenylpiperazine is sourced from PubChem (CID 64846824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).