(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine

C23H23N3O — CID 5499805

IUPAC(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
SMILESCc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)o1
InChIInChI=1S/C23H23N3O/c1-17-10-11-18(27-17)16-24-26-14-12-25(13-15-26)23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-11,16,23H,12-15H2,1H3/b24-16-
InChIKeyPTTFBJMAXQDBBB-JLPGSUDCSA-N
MW357.46 g/mol
LogP4.31
Rot. Bonds3

About (Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine

(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine (PubChem CID 5499805) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is (Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine.

Molecular Properties

Compound Name(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
PubChem CID5499805
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine
SMILESCc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)o1
InChIInChI=1S/C23H23N3O/c1-17-10-11-18(27-17)16-24-26-14-12-25(13-15-26)23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-11,16,23H,12-15H2,1H3/b24-16-
InChIKeyPTTFBJMAXQDBBB-JLPGSUDCSA-N
XLogP4.31
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.31
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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
The IUPAC name of (Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine (CID 5499805) is (Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine.
What is the SMILES notation for (Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
The canonical SMILES for (Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine is Cc1ccc(/C=N\N2CCN(C3c4ccccc4-c4ccccc43)CC2)o1.
What is the InChIKey of (Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
The InChIKey is PTTFBJMAXQDBBB-JLPGSUDCSA-N. The full InChI is InChI=1S/C23H23N3O/c1-17-10-11-18(27-17)16-24-26-14-12-25(13-15-26)23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-11,16,23H,12-15H2,1H3/b24-16-.
What are the key properties of (Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine?
(Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine has a molecular weight of 357.46 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[4-(9H-fluoren-9-yl)piperazin-1-yl]-1-(5-methylfuran-2-yl)methanimine is sourced from PubChem (CID 5499805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).