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

C15H17BrN2S — CID 765612

IUPAC1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine
SMILESBrc1ccc(CN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C15H17BrN2S/c16-15-7-6-14(19-15)12-17-8-10-18(11-9-17)13-4-2-1-3-5-13/h1-7H,8-12H2
InChIKeyUBSLKJFWAVCWDX-UHFFFAOYSA-N
MW337.29 g/mol
LogP3.83
Rot. Bonds3

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

1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine (PubChem CID 765612) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine
PubChem CID765612
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine
SMILESBrc1ccc(CN2CCN(c3ccccc3)CC2)s1
InChIInChI=1S/C15H17BrN2S/c16-15-7-6-14(19-15)12-17-8-10-18(11-9-17)13-4-2-1-3-5-13/h1-7H,8-12H2
InChIKeyUBSLKJFWAVCWDX-UHFFFAOYSA-N
XLogP3.83
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine (CID 765612) is 1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine is Brc1ccc(CN2CCN(c3ccccc3)CC2)s1.
What is the InChIKey of 1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine?
The InChIKey is UBSLKJFWAVCWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c16-15-7-6-14(19-15)12-17-8-10-18(11-9-17)13-4-2-1-3-5-13/h1-7H,8-12H2.
What are the key properties of 1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine?
1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine has a molecular weight of 337.29 g/mol, XLogP of 3.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromothiophen-2-yl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 765612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).