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

C15H17BrN2O — CID 2838693

IUPAC1-[(5-bromofuran-2-yl)methyl]-4-phenylpiperazine
SMILESBrc1ccc(CN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C15H17BrN2O/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
InChIKeyGAJPDTYQQZWGBE-UHFFFAOYSA-N
MW321.22 g/mol
LogP3.36
Rot. Bonds3

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

1-[(5-bromofuran-2-yl)methyl]-4-phenylpiperazine (PubChem CID 2838693) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-4-phenylpiperazine
PubChem CID2838693
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-4-phenylpiperazine
SMILESBrc1ccc(CN2CCN(c3ccccc3)CC2)o1
InChIInChI=1S/C15H17BrN2O/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
InChIKeyGAJPDTYQQZWGBE-UHFFFAOYSA-N
XLogP3.36
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-4-phenylpiperazine (CID 2838693) is 1-[(5-bromofuran-2-yl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-4-phenylpiperazine is Brc1ccc(CN2CCN(c3ccccc3)CC2)o1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-4-phenylpiperazine?
The InChIKey is GAJPDTYQQZWGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/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-bromofuran-2-yl)methyl]-4-phenylpiperazine?
1-[(5-bromofuran-2-yl)methyl]-4-phenylpiperazine has a molecular weight of 321.22 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 2838693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).