1-benzofuran-3-yl(piperazin-1-yl)methanamine

C13H17N3O — CID 116939837

IUPAC1-benzofuran-3-yl(piperazin-1-yl)methanamine
SMILESNC(c1coc2ccccc12)N1CCNCC1
InChIInChI=1S/C13H17N3O/c14-13(16-7-5-15-6-8-16)11-9-17-12-4-2-1-3-10(11)12/h1-4,9,13,15H,5-8,14H2
InChIKeyTXURGWZEWNLDGO-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.30
Rot. Bonds2

About 1-benzofuran-3-yl(piperazin-1-yl)methanamine

1-benzofuran-3-yl(piperazin-1-yl)methanamine (PubChem CID 116939837) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-benzofuran-3-yl(piperazin-1-yl)methanamine.

Molecular Properties

Compound Name1-benzofuran-3-yl(piperazin-1-yl)methanamine
PubChem CID116939837
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name1-benzofuran-3-yl(piperazin-1-yl)methanamine
SMILESNC(c1coc2ccccc12)N1CCNCC1
InChIInChI=1S/C13H17N3O/c14-13(16-7-5-15-6-8-16)11-9-17-12-4-2-1-3-10(11)12/h1-4,9,13,15H,5-8,14H2
InChIKeyTXURGWZEWNLDGO-UHFFFAOYSA-N
XLogP1.30
TPSA54.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-benzofuran-3-yl(piperazin-1-yl)methanamine 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

azetidin-3-yl(1-benzofuran-3-yl)methanamine
CID 116935405
2-[amino(piperazin-1-yl)methyl]benzonitrile
CID 174969861
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
3-piperazin-1-ylchromen-4-one
CID 142793533
1-(3-propan-2-yl-1-benzofuran-4-yl)piperazine
CID 82385549
1-benzofuran-3-yl(methoxy)methanamine
CID 116947357
piperazin-1-yl(thiophen-2-yl)methanamine
CID 116939719
1-[2-(1-benzofuran-3-yl)-2,2-difluoroethyl]piperazine
CID 116840474
1-(1-benzofuran-3-yl)-2-piperazin-1-ylethanone
CID 62052483
1-amino-1-(1-benzofuran-3-yl)propan-2-one
CID 55273195
N-(3-piperazin-1-ylpropyl)-1-benzofuran-3-amine
CID 115230477
3-benzhydryl-1-benzofuran
CID 53493031

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-3-yl(piperazin-1-yl)methanamine?
The IUPAC name of 1-benzofuran-3-yl(piperazin-1-yl)methanamine (CID 116939837) is 1-benzofuran-3-yl(piperazin-1-yl)methanamine.
What is the SMILES notation for 1-benzofuran-3-yl(piperazin-1-yl)methanamine?
The canonical SMILES for 1-benzofuran-3-yl(piperazin-1-yl)methanamine is NC(c1coc2ccccc12)N1CCNCC1.
What is the InChIKey of 1-benzofuran-3-yl(piperazin-1-yl)methanamine?
The InChIKey is TXURGWZEWNLDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c14-13(16-7-5-15-6-8-16)11-9-17-12-4-2-1-3-10(11)12/h1-4,9,13,15H,5-8,14H2.
What are the key properties of 1-benzofuran-3-yl(piperazin-1-yl)methanamine?
1-benzofuran-3-yl(piperazin-1-yl)methanamine has a molecular weight of 231.30 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-3-yl(piperazin-1-yl)methanamine is sourced from PubChem (CID 116939837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).