2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol

C27H30N4O — CID 6905673

IUPAC2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C27H30N4O/c1-29(18-19-32)22-12-10-21(11-13-22)20-28-31-16-14-30(15-17-31)27-25-8-4-2-6-23(25)24-7-3-5-9-26(24)27/h2-13,20,27,32H,14-19H2,1H3/b28-20+
InChIKeyZKPKMKSHWACWBX-VFCFBJKWSA-N
MW426.56 g/mol
LogP3.84
Rot. Bonds6

About 2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol

2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol (PubChem CID 6905673) has the molecular formula C27H30N4O and a molecular weight of 426.56 g/mol. Its IUPAC name is 2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol.

Molecular Properties

Compound Name2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol
PubChem CID6905673
Molecular FormulaC27H30N4O
Molecular Weight426.56 g/mol
Exact Mass426.24
IUPAC Name2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol
SMILESCN(CCO)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1
InChIInChI=1S/C27H30N4O/c1-29(18-19-32)22-12-10-21(11-13-22)20-28-31-16-14-30(15-17-31)27-25-8-4-2-6-23(25)24-7-3-5-9-26(24)27/h2-13,20,27,32H,14-19H2,1H3/b28-20+
InChIKeyZKPKMKSHWACWBX-VFCFBJKWSA-N
XLogP3.84
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol 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-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol?
The IUPAC name of 2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol (CID 6905673) is 2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol.
What is the SMILES notation for 2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol?
The canonical SMILES for 2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol is CN(CCO)c1ccc(/C=N/N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1.
What is the InChIKey of 2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol?
The InChIKey is ZKPKMKSHWACWBX-VFCFBJKWSA-N. The full InChI is InChI=1S/C27H30N4O/c1-29(18-19-32)22-12-10-21(11-13-22)20-28-31-16-14-30(15-17-31)27-25-8-4-2-6-23(25)24-7-3-5-9-26(24)27/h2-13,20,27,32H,14-19H2,1H3/b28-20+.
What are the key properties of 2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol?
2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol has a molecular weight of 426.56 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-[4-(9H-fluoren-9-yl)piperazin-1-yl]iminomethyl]-N-methylanilino]ethanol is sourced from PubChem (CID 6905673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).