(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine

C22H21N3O — CID 5350792

IUPAC(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine
SMILESC(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccco1
InChIInChI=1S/C22H21N3O/c1-3-9-20-18(7-1)19-8-2-4-10-21(19)22(20)24-11-13-25(14-12-24)23-16-17-6-5-15-26-17/h1-10,15-16,22H,11-14H2/b23-16+
InChIKeyJCJVJMZYRSYWJE-XQNSMLJCSA-N
MW343.43 g/mol
LogP4.00
Rot. Bonds3

About (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine

(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine (PubChem CID 5350792) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine.

Molecular Properties

Compound Name(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine
PubChem CID5350792
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine
SMILESC(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccco1
InChIInChI=1S/C22H21N3O/c1-3-9-20-18(7-1)19-8-2-4-10-21(19)22(20)24-11-13-25(14-12-24)23-16-17-6-5-15-26-17/h1-10,15-16,22H,11-14H2/b23-16+
InChIKeyJCJVJMZYRSYWJE-XQNSMLJCSA-N
XLogP4.00
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine 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 (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine?
The IUPAC name of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine (CID 5350792) is (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine.
What is the SMILES notation for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine?
The canonical SMILES for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine is C(=N/N1CCN(C2c3ccccc3-c3ccccc32)CC1)\c1ccco1.
What is the InChIKey of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine?
The InChIKey is JCJVJMZYRSYWJE-XQNSMLJCSA-N. The full InChI is InChI=1S/C22H21N3O/c1-3-9-20-18(7-1)19-8-2-4-10-21(19)22(20)24-11-13-25(14-12-24)23-16-17-6-5-15-26-17/h1-10,15-16,22H,11-14H2/b23-16+.
What are the key properties of (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine?
(E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine has a molecular weight of 343.43 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(furan-2-yl)methanimine is sourced from PubChem (CID 5350792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).