1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine

C26H25N3O3 — CID 71271357

IUPAC1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine
SMILESO=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OCCN1CCNCC1)c1ccccc1-2
InChIInChI=1S/C26H25N3O3/c30-29(31)20-9-10-23-21-6-2-3-7-22(21)24(25(23)18-20)17-19-5-1-4-8-26(19)32-16-15-28-13-11-27-12-14-28/h1-10,17-18,27H,11-16H2
InChIKeyJLPXBELNAFBHCZ-UHFFFAOYSA-N
MW427.50 g/mol
LogP4.45
Rot. Bonds6

About 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine

1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine (PubChem CID 71271357) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine.

Molecular Properties

Compound Name1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine
PubChem CID71271357
Molecular FormulaC26H25N3O3
Molecular Weight427.50 g/mol
Exact Mass427.19
IUPAC Name1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine
SMILESO=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OCCN1CCNCC1)c1ccccc1-2
InChIInChI=1S/C26H25N3O3/c30-29(31)20-9-10-23-21-6-2-3-7-22(21)24(25(23)18-20)17-19-5-1-4-8-26(19)32-16-15-28-13-11-27-12-14-28/h1-10,17-18,27H,11-16H2
InChIKeyJLPXBELNAFBHCZ-UHFFFAOYSA-N
XLogP4.45
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.50
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine 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 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine?
The IUPAC name of 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine (CID 71271357) is 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine.
What is the SMILES notation for 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine?
The canonical SMILES for 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine is O=[N+]([O-])c1ccc2c(c1)C(=Cc1ccccc1OCCN1CCNCC1)c1ccccc1-2.
What is the InChIKey of 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine?
The InChIKey is JLPXBELNAFBHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c30-29(31)20-9-10-23-21-6-2-3-7-22(21)24(25(23)18-20)17-19-5-1-4-8-26(19)32-16-15-28-13-11-27-12-14-28/h1-10,17-18,27H,11-16H2.
What are the key properties of 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine?
1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine has a molecular weight of 427.50 g/mol, XLogP of 4.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2-nitrofluoren-9-ylidene)methyl]phenoxy]ethyl]piperazine is sourced from PubChem (CID 71271357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).