[2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine

C14H19N3O — CID 117179209

IUPAC[2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine
SMILESNCc1ccc2cc(CN3CCNCC3)oc2c1
InChIInChI=1S/C14H19N3O/c15-9-11-1-2-12-8-13(18-14(12)7-11)10-17-5-3-16-4-6-17/h1-2,7-8,16H,3-6,9-10,15H2
InChIKeyBPIJBYZVMAWRMP-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.30
Rot. Bonds3

About [2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine

[2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine (PubChem CID 117179209) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is [2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine.

Molecular Properties

Compound Name[2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine
PubChem CID117179209
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name[2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine
SMILESNCc1ccc2cc(CN3CCNCC3)oc2c1
InChIInChI=1S/C14H19N3O/c15-9-11-1-2-12-8-13(18-14(12)7-11)10-17-5-3-16-4-6-17/h1-2,7-8,16H,3-6,9-10,15H2
InChIKeyBPIJBYZVMAWRMP-UHFFFAOYSA-N
XLogP1.30
TPSA54.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(piperazin-1-ylmethyl)-1-benzofuran-6-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

Frequently Asked Questions

What is the IUPAC name of [2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine?
The IUPAC name of [2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine (CID 117179209) is [2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine.
What is the SMILES notation for [2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine?
The canonical SMILES for [2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine is NCc1ccc2cc(CN3CCNCC3)oc2c1.
What is the InChIKey of [2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine?
The InChIKey is BPIJBYZVMAWRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c15-9-11-1-2-12-8-13(18-14(12)7-11)10-17-5-3-16-4-6-17/h1-2,7-8,16H,3-6,9-10,15H2.
What are the key properties of [2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine?
[2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine has a molecular weight of 245.33 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperazin-1-ylmethyl)-1-benzofuran-6-yl]methanamine is sourced from PubChem (CID 117179209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).