2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine

C14H16BrNO — CID 117474525

IUPAC2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine
SMILESBrc1coc2c(CC3CCCCN3)cccc12
InChIInChI=1S/C14H16BrNO/c15-13-9-17-14-10(4-3-6-12(13)14)8-11-5-1-2-7-16-11/h3-4,6,9,11,16H,1-2,5,7-8H2
InChIKeyPCPFILONGLDMGM-UHFFFAOYSA-N
MW294.19 g/mol
LogP3.88
Rot. Bonds2

About 2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine

2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine (PubChem CID 117474525) has the molecular formula C14H16BrNO and a molecular weight of 294.19 g/mol. Its IUPAC name is 2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine.

Molecular Properties

Compound Name2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine
PubChem CID117474525
Molecular FormulaC14H16BrNO
Molecular Weight294.19 g/mol
Exact Mass293.04
IUPAC Name2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine
SMILESBrc1coc2c(CC3CCCCN3)cccc12
InChIInChI=1S/C14H16BrNO/c15-13-9-17-14-10(4-3-6-12(13)14)8-11-5-1-2-7-16-11/h3-4,6,9,11,16H,1-2,5,7-8H2
InChIKeyPCPFILONGLDMGM-UHFFFAOYSA-N
XLogP3.88
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[(3-bromo-1-benzofuran-7-yl)methyl]pyrrolidine
CID 117449480
7-(piperidin-2-ylmethyl)-1,3-benzoxazole
CID 117308311
3-bromo-7-(piperidin-2-ylmethyl)-2H-indazole
CID 117474538
2-[(4-bromo-1-benzofuran-2-yl)methyl]piperidine
CID 23146342
2-[(7-bromo-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117480220
2-[(2-bromo-6-chlorophenyl)methyl]piperidine
CID 117466290
2-(piperidin-2-ylmethyl)aniline
CID 84662844
3-(piperidin-2-ylmethyl)-1,2-benzoxazol-7-ol
CID 84695678
2-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117497267
7-(pyrrolidin-2-ylmethyl)-1,3-benzoxathiol-2-one
CID 117342600
2-[(5-bromothiophen-2-yl)methyl]piperidine
CID 63086364

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine?
The IUPAC name of 2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine (CID 117474525) is 2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine.
What is the SMILES notation for 2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine?
The canonical SMILES for 2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine is Brc1coc2c(CC3CCCCN3)cccc12.
What is the InChIKey of 2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine?
The InChIKey is PCPFILONGLDMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO/c15-13-9-17-14-10(4-3-6-12(13)14)8-11-5-1-2-7-16-11/h3-4,6,9,11,16H,1-2,5,7-8H2.
What are the key properties of 2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine?
2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine has a molecular weight of 294.19 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-1-benzofuran-7-yl)methyl]piperidine is sourced from PubChem (CID 117474525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).