1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine

C15H17BrN2O2 — CID 115410783

IUPAC1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine
SMILESBrc1ccc(COc2ccc(N3CCNCC3)cc2)o1
InChIInChI=1S/C15H17BrN2O2/c16-15-6-5-14(20-15)11-19-13-3-1-12(2-4-13)18-9-7-17-8-10-18/h1-6,17H,7-11H2
InChIKeyNLGYDTUCKZEMFZ-UHFFFAOYSA-N
MW337.22 g/mol
LogP3.03
Rot. Bonds4

About 1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine

1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine (PubChem CID 115410783) has the molecular formula C15H17BrN2O2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine.

Molecular Properties

Compound Name1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine
PubChem CID115410783
Molecular FormulaC15H17BrN2O2
Molecular Weight337.22 g/mol
Exact Mass336.05
IUPAC Name1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine
SMILESBrc1ccc(COc2ccc(N3CCNCC3)cc2)o1
InChIInChI=1S/C15H17BrN2O2/c16-15-6-5-14(20-15)11-19-13-3-1-12(2-4-13)18-9-7-17-8-10-18/h1-6,17H,7-11H2
InChIKeyNLGYDTUCKZEMFZ-UHFFFAOYSA-N
XLogP3.03
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine?
The IUPAC name of 1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine (CID 115410783) is 1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine.
What is the SMILES notation for 1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine?
The canonical SMILES for 1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine is Brc1ccc(COc2ccc(N3CCNCC3)cc2)o1.
What is the InChIKey of 1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine?
The InChIKey is NLGYDTUCKZEMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2/c16-15-6-5-14(20-15)11-19-13-3-1-12(2-4-13)18-9-7-17-8-10-18/h1-6,17H,7-11H2.
What are the key properties of 1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine?
1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine has a molecular weight of 337.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-bromofuran-2-yl)methoxy]phenyl]piperazine is sourced from PubChem (CID 115410783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).