1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine

C17H21BrN2S — CID 64839742

IUPAC1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine
SMILESCC1(C)CN(Cc2sccc2Br)C(c2ccccc2)CN1
InChIInChI=1S/C17H21BrN2S/c1-17(2)12-20(11-16-14(18)8-9-21-16)15(10-19-17)13-6-4-3-5-7-13/h3-9,15,19H,10-12H2,1-2H3
InChIKeyRZHZDQMCWDEKDR-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.44
Rot. Bonds3

About 1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine

1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine (PubChem CID 64839742) has the molecular formula C17H21BrN2S and a molecular weight of 365.34 g/mol. Its IUPAC name is 1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine.

Molecular Properties

Compound Name1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine
PubChem CID64839742
Molecular FormulaC17H21BrN2S
Molecular Weight365.34 g/mol
Exact Mass364.06
IUPAC Name1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine
SMILESCC1(C)CN(Cc2sccc2Br)C(c2ccccc2)CN1
InChIInChI=1S/C17H21BrN2S/c1-17(2)12-20(11-16-14(18)8-9-21-16)15(10-19-17)13-6-4-3-5-7-13/h3-9,15,19H,10-12H2,1-2H3
InChIKeyRZHZDQMCWDEKDR-UHFFFAOYSA-N
XLogP4.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-dimethyl-2-phenyl-1-(thiophen-2-ylmethyl)piperazine
CID 64840285
5-[(5,5-dimethyl-2-phenylpiperazin-1-yl)methyl]-4-methyl-1,3-thiazole
CID 64941970
5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]-2-phenylpiperazine
CID 64840112
1-(cyclohexylmethyl)-5,5-dimethyl-2-phenylpiperazine
CID 64840282
5,5-dimethyl-2-phenyl-1-(2-pyrrolidin-1-ylethyl)piperazine
CID 82250165
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-2,5-dimethylpiperazine
CID 64848467
1-(2-butoxyethyl)-5,5-dimethyl-2-phenylpiperazine
CID 64839744
1-[(3-bromothiophen-2-yl)methyl]-5-ethyl-5-methyl-2-propylpiperazine
CID 64850024
1-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-5,5-diethylpiperazine
CID 64859676
5,5-dimethyl-1-(oxan-2-ylmethyl)-2-phenylpiperazine
CID 64840106
1-[(3-bromothiophen-2-yl)methyl]-5-cyclopropyl-2,2,5-trimethylpiperazine
CID 64878274
2-benzyl-1-[(3-bromothiophen-2-yl)methyl]-5-methylpiperazine
CID 64844392

Frequently Asked Questions

What is the IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine?
The IUPAC name of 1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine (CID 64839742) is 1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine.
What is the SMILES notation for 1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine?
The canonical SMILES for 1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine is CC1(C)CN(Cc2sccc2Br)C(c2ccccc2)CN1.
What is the InChIKey of 1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine?
The InChIKey is RZHZDQMCWDEKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN2S/c1-17(2)12-20(11-16-14(18)8-9-21-16)15(10-19-17)13-6-4-3-5-7-13/h3-9,15,19H,10-12H2,1-2H3.
What are the key properties of 1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine?
1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine has a molecular weight of 365.34 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-bromothiophen-2-yl)methyl]-5,5-dimethyl-2-phenylpiperazine is sourced from PubChem (CID 64839742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).